6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C20H26N4O — CID 109327489

IUPAC6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2C)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C20H26N4O/c1-14-7-6-10-24(13-14)20-22-16(3)11-18(23-20)19(25)21-12-17-9-5-4-8-15(17)2/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3,(H,21,25)
InChIKeySNFBSZIKZJTHGE-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.26
Rot. Bonds4

About 6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109327489) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109327489
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2C)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C20H26N4O/c1-14-7-6-10-24(13-14)20-22-16(3)11-18(23-20)19(25)21-12-17-9-5-4-8-15(17)2/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3,(H,21,25)
InChIKeySNFBSZIKZJTHGE-UHFFFAOYSA-N
XLogP3.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330253
6-methyl-2-(3-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319530
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090941
N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109333957
6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327550
N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334012
6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109333992
N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334018
N-(2,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334001
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926176
N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109046805
6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368644

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109327489) is 6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccccc2C)nc(N2CCCC(C)C2)n1.
What is the InChIKey of 6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is SNFBSZIKZJTHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-7-6-10-24(13-14)20-22-16(3)11-18(23-20)19(25)21-12-17-9-5-4-8-15(17)2/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3,(H,21,25).
What are the key properties of 6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109327489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).