4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide

C22H24N6O2 — CID 92639790

IUPAC4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H24N6O2/c1-15-19(21(29)26-18-8-4-3-5-9-18)12-23-20(25-15)16-7-6-10-28(14-16)22(30)17-11-24-27(2)13-17/h3-5,8-9,11-13,16H,6-7,10,14H2,1-2H3,(H,26,29)/t16-/m0/s1
InChIKeyXDWJSCSEYZKISE-INIZCTEOSA-N
MW404.47 g/mol
LogP2.79
Rot. Bonds4

About 4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide

4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide (PubChem CID 92639790) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide
PubChem CID92639790
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H24N6O2/c1-15-19(21(29)26-18-8-4-3-5-9-18)12-23-20(25-15)16-7-6-10-28(14-16)22(30)17-11-24-27(2)13-17/h3-5,8-9,11-13,16H,6-7,10,14H2,1-2H3,(H,26,29)/t16-/m0/s1
InChIKeyXDWJSCSEYZKISE-INIZCTEOSA-N
XLogP2.79
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639808
2-(1-benzoylpyrrolidin-3-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088672
2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639563
4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639795
4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide
CID 110084678
N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639767
2-[(3R)-1-[2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetyl]piperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 124974489
2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110084692
N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92640166
2-[(3S)-1-benzoylpiperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639400
N-(4-chlorophenyl)-4-methyl-2-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92636399
N-(2-fluorophenyl)-4-methyl-2-[(3S)-1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95806054

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide (CID 92639790) is 4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide is Cc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide?
The InChIKey is XDWJSCSEYZKISE-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-15-19(21(29)26-18-8-4-3-5-9-18)12-23-20(25-15)16-7-6-10-28(14-16)22(30)17-11-24-27(2)13-17/h3-5,8-9,11-13,16H,6-7,10,14H2,1-2H3,(H,26,29)/t16-/m0/s1.
What are the key properties of 4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide?
4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 92639790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).