1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C25H29N5O2 — CID 133341479

IUPAC1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)cc1
InChIInChI=1S/C25H29N5O2/c1-17-18(2)28-23(22-6-4-5-13-26-22)29-24(17)30-14-11-20(12-15-30)25(31)27-16-19-7-9-21(32-3)10-8-19/h4-10,13,20H,11-12,14-16H2,1-3H3,(H,27,31)
InChIKeyGEBLOHTYHQLLKQ-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.70
Rot. Bonds6

About 1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133341479) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID133341479
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)cc1
InChIInChI=1S/C25H29N5O2/c1-17-18(2)28-23(22-6-4-5-13-26-22)29-24(17)30-14-11-20(12-15-30)25(31)27-16-19-7-9-21(32-3)10-8-19/h4-10,13,20H,11-12,14-16H2,1-3H3,(H,27,31)
InChIKeyGEBLOHTYHQLLKQ-UHFFFAOYSA-N
XLogP3.70
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 56585139
1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356454
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
N-[(4-methoxyphenyl)methyl]-1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53012087
N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 133341503
N-[(4-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514032
N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165885
1-[4-(2-chloroanilino)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 134800551
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46362782
2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134698273

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 133341479) is 1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)cc1.
What is the InChIKey of 1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GEBLOHTYHQLLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-18(2)28-23(22-6-4-5-13-26-22)29-24(17)30-14-11-20(12-15-30)25(31)27-16-19-7-9-21(32-3)10-8-19/h4-10,13,20H,11-12,14-16H2,1-3H3,(H,27,31).
What are the key properties of 1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133341479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).