4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide

C24H23ClN6O2 — CID 172594148

IUPAC4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide
SMILESCc1cc(C#N)cc(Cl)c1-n1cnc(N)c(C(=O)Nc2cccc([C@H]3CCCCN3)c2)c1=O
InChIInChI=1S/C24H23ClN6O2/c1-14-9-15(12-26)10-18(25)21(14)31-13-29-22(27)20(24(31)33)23(32)30-17-6-4-5-16(11-17)19-7-2-3-8-28-19/h4-6,9-11,13,19,28H,2-3,7-8,27H2,1H3,(H,30,32)/t19-/m1/s1
InChIKeyHAVBYNODLYWYIE-LJQANCHMSA-N
MW462.94 g/mol
LogP3.72
Rot. Bonds4

About 4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide

4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide (PubChem CID 172594148) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide
PubChem CID172594148
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide
SMILESCc1cc(C#N)cc(Cl)c1-n1cnc(N)c(C(=O)Nc2cccc([C@H]3CCCCN3)c2)c1=O
InChIInChI=1S/C24H23ClN6O2/c1-14-9-15(12-26)10-18(25)21(14)31-13-29-22(27)20(24(31)33)23(32)30-17-6-4-5-16(11-17)19-7-2-3-8-28-19/h4-6,9-11,13,19,28H,2-3,7-8,27H2,1H3,(H,30,32)/t19-/m1/s1
InChIKeyHAVBYNODLYWYIE-LJQANCHMSA-N
XLogP3.72
TPSA125.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-1-(2,6-dichlorophenyl)-N-[2-fluoro-3-[(2S)-pyrrolidin-2-yl]phenyl]-6-oxopyrimidine-5-carboxamide
CID 172593691
methyl 4-[4-amino-6-oxo-5-(pyridin-3-ylcarbamoyl)pyrimidin-1-yl]-3,5-dichlorobenzoate;piperidine
CID 172593941
4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 172593669
4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide
CID 172593638
4-amino-1-(2-chloro-4-methoxy-6-methylphenyl)-6-oxo-N-(5-propan-2-yl-3-pyridinyl)pyrimidine-5-carboxamide
CID 172593761
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
4-amino-1-(2,6-dichloro-4-cyclopropyloxyphenyl)-N-[5-(2-methoxyethyl)-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 172594188
methyl 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxopyrimidine-5-carboxylate
CID 172594106
(2R)-2-(3-methylphenyl)azepane
CID 7048257
3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
CID 154574752
1-benzyl-3,5-dimethyl-N-[3-(5-oxopyrrolidin-2-yl)phenyl]pyrazole-4-carboxamide
CID 166237160
1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187973

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide (CID 172594148) is 4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide is Cc1cc(C#N)cc(Cl)c1-n1cnc(N)c(C(=O)Nc2cccc([C@H]3CCCCN3)c2)c1=O.
What is the InChIKey of 4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide?
The InChIKey is HAVBYNODLYWYIE-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-14-9-15(12-26)10-18(25)21(14)31-13-29-22(27)20(24(31)33)23(32)30-17-6-4-5-16(11-17)19-7-2-3-8-28-19/h4-6,9-11,13,19,28H,2-3,7-8,27H2,1H3,(H,30,32)/t19-/m1/s1.
What are the key properties of 4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide?
4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide has a molecular weight of 462.94 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxo-N-[3-[(2R)-piperidin-2-yl]phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 172594148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).