1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C25H29N5O — CID 133356454

IUPAC1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)cc1
InChIInChI=1S/C25H29N5O/c1-17-6-8-20(9-7-17)15-27-25(31)21-10-13-30(14-11-21)24-18(2)19(3)28-23(29-24)22-5-4-12-26-16-22/h4-9,12,16,21H,10-11,13-15H2,1-3H3,(H,27,31)
InChIKeyUWSQONBVRHQVAI-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.00
Rot. Bonds5

About 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133356454) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID133356454
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)cc1
InChIInChI=1S/C25H29N5O/c1-17-6-8-20(9-7-17)15-27-25(31)21-10-13-30(14-11-21)24-18(2)19(3)28-23(29-24)22-5-4-12-26-16-22/h4-9,12,16,21H,10-11,13-15H2,1-3H3,(H,27,31)
InChIKeyUWSQONBVRHQVAI-UHFFFAOYSA-N
XLogP4.00
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 133356454) is 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)cc1.
What is the InChIKey of 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is UWSQONBVRHQVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-17-6-8-20(9-7-17)15-27-25(31)21-10-13-30(14-11-21)24-18(2)19(3)28-23(29-24)22-5-4-12-26-16-22/h4-9,12,16,21H,10-11,13-15H2,1-3H3,(H,27,31).
What are the key properties of 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133356454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).