2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide

C26H30N4O — CID 42670331

IUPAC2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NC(C)c3ccccc3)c(N3CCCCC3C)n2)cc1
InChIInChI=1S/C26H30N4O/c1-18-12-14-22(15-13-18)24-27-17-23(25(29-24)30-16-8-7-9-19(30)2)26(31)28-20(3)21-10-5-4-6-11-21/h4-6,10-15,17,19-20H,7-9,16H2,1-3H3,(H,28,31)
InChIKeyJOTLLYSBJMUFGG-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.32
Rot. Bonds5

About 2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide

2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 42670331) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
PubChem CID42670331
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NC(C)c3ccccc3)c(N3CCCCC3C)n2)cc1
InChIInChI=1S/C26H30N4O/c1-18-12-14-22(15-13-18)24-27-17-23(25(29-24)30-16-8-7-9-19(30)2)26(31)28-20(3)21-10-5-4-6-11-21/h4-6,10-15,17,19-20H,7-9,16H2,1-3H3,(H,28,31)
InChIKeyJOTLLYSBJMUFGG-UHFFFAOYSA-N
XLogP5.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide
CID 93138163
2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42671005
2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670773
1-[4-[2-(3-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 97478193
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide
CID 93138303
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42670920
6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62701810
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
ethyl 1-[2-(4-methoxyphenyl)-4-(2-methylpiperidin-1-yl)pyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 42670416
N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 93138162
N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 93138161
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide (CID 42670331) is 2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide is Cc1ccc(-c2ncc(C(=O)NC(C)c3ccccc3)c(N3CCCCC3C)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is JOTLLYSBJMUFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-18-12-14-22(15-13-18)24-27-17-23(25(29-24)30-16-8-7-9-19(30)2)26(31)28-20(3)21-10-5-4-6-11-21/h4-6,10-15,17,19-20H,7-9,16H2,1-3H3,(H,28,31).
What are the key properties of 2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42670331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).