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

C23H28N6O2 — CID 146430128

IUPACN-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@](C)(c2cncnc2)N3)C1
InChIInChI=1S/C23H28N6O2/c1-23(18-11-24-14-25-12-18)7-5-16-9-17(10-26-20(16)27-23)22(31)29-8-6-19(13-29)28(2)21(30)15-3-4-15/h9-12,14-15,19H,3-8,13H2,1-2H3,(H,26,27)/t19-,23+/m0/s1
InChIKeyMEVQNEWUWCWOHH-WMZHIEFXSA-N
MW420.52 g/mol
LogP2.23
Rot. Bonds4

About 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

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 (PubChem CID 146430128) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID146430128
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@](C)(c2cncnc2)N3)C1
InChIInChI=1S/C23H28N6O2/c1-23(18-11-24-14-25-12-18)7-5-16-9-17(10-26-20(16)27-23)22(31)29-8-6-19(13-29)28(2)21(30)15-3-4-15/h9-12,14-15,19H,3-8,13H2,1-2H3,(H,26,27)/t19-,23+/m0/s1
InChIKeyMEVQNEWUWCWOHH-WMZHIEFXSA-N
XLogP2.23
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@](C)(c2cncnc2)N3)C1.
What is the InChIKey of 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?
The InChIKey is MEVQNEWUWCWOHH-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-23(18-11-24-14-25-12-18)7-5-16-9-17(10-26-20(16)27-23)22(31)29-8-6-19(13-29)28(2)21(30)15-3-4-15/h9-12,14-15,19H,3-8,13H2,1-2H3,(H,26,27)/t19-,23+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 420.52 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146430128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).