N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide

C24H28N6O3 — CID 176964948

IUPACN-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN([C@H]3CO[C@@H](c4nc5ccc(C)cc5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C24H28N6O3/c1-15-3-5-19-18(11-15)23(31)28-22(27-19)21-12-17(14-33-21)30-9-7-29(8-10-30)16-4-6-20(26-13-16)24(32)25-2/h3-6,11,13,17,21H,7-10,12,14H2,1-2H3,(H,25,32)(H,27,28,31)/t17-,21-/m1/s1
InChIKeyVKXOKLZPFDANJA-DYESRHJHSA-N
MW448.53 g/mol
LogP1.64
Rot. Bonds4

About N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 176964948) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID176964948
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN([C@H]3CO[C@@H](c4nc5ccc(C)cc5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C24H28N6O3/c1-15-3-5-19-18(11-15)23(31)28-22(27-19)21-12-17(14-33-21)30-9-7-29(8-10-30)16-4-6-20(26-13-16)24(32)25-2/h3-6,11,13,17,21H,7-10,12,14H2,1-2H3,(H,25,32)(H,27,28,31)/t17-,21-/m1/s1
InChIKeyVKXOKLZPFDANJA-DYESRHJHSA-N
XLogP1.64
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964897
5-[4-[(1S,3R)-3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964801
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-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964817
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-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149167
N-methyl-5-[4-[(1R,3R)-3-(5-oxo-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-7-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964547
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
5-[4-[3-(7-chloro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148762
5-[4-[(2,4-dioxo-1H-thieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981704
N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide
CID 169148545
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524582

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide (CID 176964948) is N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN([C@H]3CO[C@@H](c4nc5ccc(C)cc5c(=O)[nH]4)C3)CC2)cn1.
What is the InChIKey of N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is VKXOKLZPFDANJA-DYESRHJHSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-15-3-5-19-18(11-15)23(31)28-22(27-19)21-12-17(14-33-21)30-9-7-29(8-10-30)16-4-6-20(26-13-16)24(32)25-2/h3-6,11,13,17,21H,7-10,12,14H2,1-2H3,(H,25,32)(H,27,28,31)/t17-,21-/m1/s1.
What are the key properties of N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176964948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).