N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide

C24H24ClN5O2 — CID 92636755

IUPACN-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCCCN2C(=O)Cc2ccncc2)ncc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN5O2/c1-16-20(24(32)29-19-7-5-18(25)6-8-19)15-27-23(28-16)21-4-2-3-13-30(21)22(31)14-17-9-11-26-12-10-17/h5-12,15,21H,2-4,13-14H2,1H3,(H,29,32)/t21-/m0/s1
InChIKeyMJVOKFURGRCWDE-NRFANRHFSA-N
MW449.94 g/mol
LogP4.38
Rot. Bonds5

About N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide

N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 92636755) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID92636755
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC NameN-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCCCN2C(=O)Cc2ccncc2)ncc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN5O2/c1-16-20(24(32)29-19-7-5-18(25)6-8-19)15-27-23(28-16)21-4-2-3-13-30(21)22(31)14-17-9-11-26-12-10-17/h5-12,15,21H,2-4,13-14H2,1H3,(H,29,32)/t21-/m0/s1
InChIKeyMJVOKFURGRCWDE-NRFANRHFSA-N
XLogP4.38
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92636569
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247677
N-(4-chlorophenyl)-4-methyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110084578
2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637229
2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92637216
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92637317
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639623
2-[(2S)-1-(4-amino-4-oxobutanoyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92639759
N-(2-fluorophenyl)-4-methyl-2-[(2S)-1-[2-(3-methylphenyl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 129361176

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide (CID 92636755) is N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide is Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccncc2)ncc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is MJVOKFURGRCWDE-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-16-20(24(32)29-19-7-5-18(25)6-8-19)15-27-23(28-16)21-4-2-3-13-30(21)22(31)14-17-9-11-26-12-10-17/h5-12,15,21H,2-4,13-14H2,1H3,(H,29,32)/t21-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide?
N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92636755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).