N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C19H21N5O — CID 109364243

IUPACN-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C#N)cc2)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H21N5O/c1-13-7-9-24(10-8-13)18-11-17(21-14(2)22-18)19(25)23-16-5-3-15(12-20)4-6-16/h3-6,11,13H,7-10H2,1-2H3,(H,23,25)
InChIKeyDEFMHWAAEDTCGT-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.15
Rot. Bonds3

About N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109364243) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109364243
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C#N)cc2)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H21N5O/c1-13-7-9-24(10-8-13)18-11-17(21-14(2)22-18)19(25)23-16-5-3-15(12-20)4-6-16/h3-6,11,13H,7-10H2,1-2H3,(H,23,25)
InChIKeyDEFMHWAAEDTCGT-UHFFFAOYSA-N
XLogP3.15
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362875
N-(4-cyanophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342313
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363576
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365472
N-(3-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364198
N-(2,4-dimethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364166
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
N-(2,3-dimethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364171
N-(2,6-diethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364179
N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848698
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109364243) is N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccc(C#N)cc2)cc(N2CCC(C)CC2)n1.
What is the InChIKey of N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is DEFMHWAAEDTCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-7-9-24(10-8-13)18-11-17(21-14(2)22-18)19(25)23-16-5-3-15(12-20)4-6-16/h3-6,11,13H,7-10H2,1-2H3,(H,23,25).
What are the key properties of N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109364243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).