N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide

C23H30N6O2 — CID 169148887

IUPACN-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(c4nc5c(c(=O)[nH]4)CCC5)C3)CC2)cn1
InChIInChI=1S/C23H30N6O2/c1-24-23(31)20-6-5-17(13-25-20)28-11-8-16(9-12-28)29-10-7-15(14-29)21-26-19-4-2-3-18(19)22(30)27-21/h5-6,13,15-16H,2-4,7-12,14H2,1H3,(H,24,31)(H,26,27,30)
InChIKeyGBXDGVUGKLORFE-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.47
Rot. Bonds4

About N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 169148887) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
PubChem CID169148887
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(c4nc5c(c(=O)[nH]4)CCC5)C3)CC2)cn1
InChIInChI=1S/C23H30N6O2/c1-24-23(31)20-6-5-17(13-25-20)28-11-8-16(9-12-28)29-10-7-15(14-29)21-26-19-4-2-3-18(19)22(30)27-21/h5-6,13,15-16H,2-4,7-12,14H2,1H3,(H,24,31)(H,26,27,30)
InChIKeyGBXDGVUGKLORFE-UHFFFAOYSA-N
XLogP1.47
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-[4-[3-(4-oxo-3H-pyrimido[4,5-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148652
N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 170123508
5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148805
N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148771
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149167
5-[4-[3-(7-chloro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148762
N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 176689658
5-[4-[3-(3-fluoro-4-oxo-5H-pyrazolo[1,5-a]pyrazin-6-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176689709
6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 176748248
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748291

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide (CID 169148887) is N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCC(c4nc5c(c(=O)[nH]4)CCC5)C3)CC2)cn1.
What is the InChIKey of N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is GBXDGVUGKLORFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-24-23(31)20-6-5-17(13-25-20)28-11-8-16(9-12-28)29-10-7-15(14-29)21-26-19-4-2-3-18(19)22(30)27-21/h5-6,13,15-16H,2-4,7-12,14H2,1H3,(H,24,31)(H,26,27,30).
What are the key properties of N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169148887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).