N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide

C72H90N18O6 — CID 157222101

IUPACN-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(c2cncnc2)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@@](C)(c2cncnc2)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@](C)(c2cncnc2)N3)C1
InChIInChI=1S/3C24H30N6O2/c3*1-24(19-12-25-15-26-13-19)8-6-17-10-18(11-27-21(17)28-24)23(32)30-9-7-20(14-30)29(2)22(31)16-4-3-5-16/h3*10-13,15-16,20H,3-9,14H2,1-2H3,(H,27,28)/t20-,24?;20-,24+;20-,24-/m000/s1
InChIKeyATCOWXUIELQDTL-IDDSYCIUSA-N
MW1303.63 g/mol
LogP7.85
Rot. Bonds12

About N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide

N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 157222101) has the molecular formula C72H90N18O6 and a molecular weight of 1303.63 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide
PubChem CID157222101
Molecular FormulaC72H90N18O6
Molecular Weight1303.63 g/mol
Exact Mass1302.73
IUPAC NameN-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(c2cncnc2)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@@](C)(c2cncnc2)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@](C)(c2cncnc2)N3)C1
InChIInChI=1S/3C24H30N6O2/c3*1-24(19-12-25-15-26-13-19)8-6-17-10-18(11-27-21(17)28-24)23(32)30-9-7-20(14-30)29(2)22(31)16-4-3-5-16/h3*10-13,15-16,20H,3-9,14H2,1-2H3,(H,27,28)/t20-,24?;20-,24+;20-,24-/m000/s1
InChIKeyATCOWXUIELQDTL-IDDSYCIUSA-N
XLogP7.85
TPSA273.96 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.63
LogP ≤ 57.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide
CID 146421586
N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 146430128
N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide
CID 146421582
N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 146430206
3-[2-[[6-[2-amino-5-[1-(cyclobutylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]pyrimidin-1-ium-1-yl]-3-(2-aminopyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylbutyl]-6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2H-2,7-naphthyridin-1-one
CID 123883070
4-[[4-[2-(dimethylamino)ethyl-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoyl]amino]-6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[2-[3-[4-(4-methylpiperazin-1-yl)-1-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperidin-2-yl]piperidin-1-yl]ethyl]benzamide
CID 135257951
6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2H-2,7-naphthyridin-1-one;6-(2-aminopyrimidin-5-yl)-8-(cyclobutylamino)-2H-2,7-naphthyridin-1-one;6-(2-aminopyrimidin-5-yl)-8-(2-methylpentan-2-ylamino)-2H-2,7-naphthyridin-1-one;ethane
CID 144130702
N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 146430101
N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 146430170
N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 146430215
(7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide
CID 146436386
N-methyl-N-[1-[(7S)-7-methyl-8-methylidene-7-pyrimidin-5-yl-5,6-dihydro-1,8-naphthyridin-8-ium-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide
CID 153537769

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide (CID 157222101) is N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide is CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(c2cncnc2)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@@](C)(c2cncnc2)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@](C)(c2cncnc2)N3)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The InChIKey is ATCOWXUIELQDTL-IDDSYCIUSA-N. The full InChI is InChI=1S/3C24H30N6O2/c3*1-24(19-12-25-15-26-13-19)8-6-17-10-18(11-27-21(17)28-24)23(32)30-9-7-20(14-30)29(2)22(31)16-4-3-5-16/h3*10-13,15-16,20H,3-9,14H2,1-2H3,(H,27,28)/t20-,24?;20-,24+;20-,24-/m000/s1.
What are the key properties of N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide?
N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 1303.63 g/mol, XLogP of 7.85, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 157222101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).