(3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide

C23H22ClN5O2 — CID 97069270

IUPAC(3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H22ClN5O2/c1-15-13-19(27-21(26-15)16-7-9-18(24)10-8-16)23(31)29-12-4-5-17(14-29)22(30)28-20-6-2-3-11-25-20/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,25,28,30)/t17-/m1/s1
InChIKeyFVBRFYFVFZYADG-QGZVFWFLSA-N
MW435.92 g/mol
LogP3.99
Rot. Bonds4

About (3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 97069270) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is (3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID97069270
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name(3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H22ClN5O2/c1-15-13-19(27-21(26-15)16-7-9-18(24)10-8-16)23(31)29-12-4-5-17(14-29)22(30)28-20-6-2-3-11-25-20/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,25,28,30)/t17-/m1/s1
InChIKeyFVBRFYFVFZYADG-QGZVFWFLSA-N
XLogP3.99
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
1-(1-methylpyrrole-2-carbonyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 126799508
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 78838219
1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
(3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 51960641
1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 47049140
1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 154857430
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide (CID 97069270) is (3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide is Cc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of (3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is FVBRFYFVFZYADG-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-15-13-19(27-21(26-15)16-7-9-18(24)10-8-16)23(31)29-12-4-5-17(14-29)22(30)28-20-6-2-3-11-25-20/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,25,28,30)/t17-/m1/s1.
What are the key properties of (3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 435.92 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 97069270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).