N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide

C24H25N5O3 — CID 92636493

IUPACN-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccncc2)nc1C
InChIInChI=1S/C24H25N5O3/c1-16-18(23(30)28-19-7-3-4-9-21(19)32-2)15-26-22(27-16)20-8-5-6-14-29(20)24(31)17-10-12-25-13-11-17/h3-4,7,9-13,15,20H,5-6,8,14H2,1-2H3,(H,28,30)/t20-/m0/s1
InChIKeyCVGOXVLFOJOMAV-FQEVSTJZSA-N
MW431.50 g/mol
LogP3.81
Rot. Bonds5

About N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide

N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 92636493) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID92636493
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccncc2)nc1C
InChIInChI=1S/C24H25N5O3/c1-16-18(23(30)28-19-7-3-4-9-21(19)32-2)15-26-22(27-16)20-8-5-6-14-29(20)24(31)17-10-12-25-13-11-17/h3-4,7,9-13,15,20H,5-6,8,14H2,1-2H3,(H,28,30)/t20-/m0/s1
InChIKeyCVGOXVLFOJOMAV-FQEVSTJZSA-N
XLogP3.81
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-methyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110084558
2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110249056
N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636526
N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247400
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110247632
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636501
N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 92637184
2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92636430
2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247677
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
2-[1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 132779301
2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361141

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide (CID 92636493) is N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccncc2)nc1C.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is CVGOXVLFOJOMAV-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-18(23(30)28-19-7-3-4-9-21(19)32-2)15-26-22(27-16)20-8-5-6-14-29(20)24(31)17-10-12-25-13-11-17/h3-4,7,9-13,15,20H,5-6,8,14H2,1-2H3,(H,28,30)/t20-/m0/s1.
What are the key properties of N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92636493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).