5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide

C25H29FN6O2 — CID 169148805

IUPAC5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5ccc(F)cc5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C25H29FN6O2/c1-27-25(34)22-7-5-19(14-28-22)31-11-8-18(9-12-31)32-10-2-3-16(15-32)23-29-21-6-4-17(26)13-20(21)24(33)30-23/h4-7,13-14,16,18H,2-3,8-12,15H2,1H3,(H,27,34)(H,29,30,33)
InChIKeyBUNQJYMSYNSIRM-UHFFFAOYSA-N
MW464.55 g/mol
LogP2.67
Rot. Bonds4

About 5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 169148805) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is 5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID169148805
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC Name5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5ccc(F)cc5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C25H29FN6O2/c1-27-25(34)22-7-5-19(14-28-22)31-11-8-18(9-12-31)32-10-2-3-16(15-32)23-29-21-6-4-17(26)13-20(21)24(33)30-23/h4-7,13-14,16,18H,2-3,8-12,15H2,1H3,(H,27,34)(H,29,30,33)
InChIKeyBUNQJYMSYNSIRM-UHFFFAOYSA-N
XLogP2.67
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148771
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
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-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148887
5-[4-[3-(7-chloro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148762
N-(2,2-difluoroethyl)-5-[4-[(1R,3R)-3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964978
5-[4-[(1S,3R)-3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964801
6-chloro-5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149026
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
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 169149088
2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 176965151

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide (CID 169148805) is 5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5ccc(F)cc5c(=O)[nH]4)C3)CC2)cn1.
What is the InChIKey of 5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is BUNQJYMSYNSIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-27-25(34)22-7-5-19(14-28-22)31-11-8-18(9-12-31)32-10-2-3-16(15-32)23-29-21-6-4-17(26)13-20(21)24(33)30-23/h4-7,13-14,16,18H,2-3,8-12,15H2,1H3,(H,27,34)(H,29,30,33).
What are the key properties of 5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169148805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).