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

C24H30N6O2 — CID 146430170

IUPACN-methyl-N-[(3S)-1-(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
InChIInChI=1S/C24H30N6O2/c1-24(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/h10-13,15-16,20H,3-9,14H2,1-2H3,(H,27,28)/t20-,24?/m0/s1
InChIKeyDIVXMYBPVXKPAZ-QHELBMECSA-N
MW434.54 g/mol
LogP2.62
Rot. Bonds4

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-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 146430170) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 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.

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
PubChem CID146430170
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
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
SMILESCN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(c2cncnc2)N3)C1
InChIInChI=1S/C24H30N6O2/c1-24(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/h10-13,15-16,20H,3-9,14H2,1-2H3,(H,27,28)/t20-,24?/m0/s1
InChIKeyDIVXMYBPVXKPAZ-QHELBMECSA-N
XLogP2.62
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.62
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-(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 (CID 146430170) 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.
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?
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 is CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(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?
The InChIKey is DIVXMYBPVXKPAZ-QHELBMECSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-24(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/h10-13,15-16,20H,3-9,14H2,1-2H3,(H,27,28)/t20-,24?/m0/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-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.62, 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-(7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 146430170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).