2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide

C24H27N5O — CID 42670750

IUPAC2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCCc3ccccn3)c(N3CCCCC3)n2)c1
InChIInChI=1S/C24H27N5O/c1-18-8-7-9-19(16-18)22-27-17-21(23(28-22)29-14-5-2-6-15-29)24(30)26-13-11-20-10-3-4-12-25-20/h3-4,7-10,12,16-17H,2,5-6,11,13-15H2,1H3,(H,26,30)
InChIKeyTVTCHOVNQPXIEQ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.81
Rot. Bonds6

About 2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide

2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide (PubChem CID 42670750) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
PubChem CID42670750
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCCc3ccccn3)c(N3CCCCC3)n2)c1
InChIInChI=1S/C24H27N5O/c1-18-8-7-9-19(16-18)22-27-17-21(23(28-22)29-14-5-2-6-15-29)24(30)26-13-11-20-10-3-4-12-25-20/h3-4,7-10,12,16-17H,2,5-6,11,13-15H2,1H3,(H,26,30)
InChIKeyTVTCHOVNQPXIEQ-UHFFFAOYSA-N
XLogP3.81
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
1-[4-[2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 42670767
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 42673825
2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
CID 70769275
2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670736
2-(3-methylphenyl)-4-(4-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670785
N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60611627
[4-(4-benzylpiperazin-1-yl)-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670917
2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670773
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 46652667
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide
CID 93138303

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide (CID 42670750) is 2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide is Cc1cccc(-c2ncc(C(=O)NCCc3ccccn3)c(N3CCCCC3)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is TVTCHOVNQPXIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-18-8-7-9-19(16-18)22-27-17-21(23(28-22)29-14-5-2-6-15-29)24(30)26-13-11-20-10-3-4-12-25-20/h3-4,7-10,12,16-17H,2,5-6,11,13-15H2,1H3,(H,26,30).
What are the key properties of 2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide?
2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42670750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).