N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C19H21N5O — CID 109334012

IUPACN-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C#N)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H21N5O/c1-13-6-5-9-24(12-13)19-21-14(2)10-17(23-19)18(25)22-16-8-4-3-7-15(16)11-20/h3-4,7-8,10,13H,5-6,9,12H2,1-2H3,(H,22,25)
InChIKeyDXUIRELHKOVFIX-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.15
Rot. Bonds3

About N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109334012) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109334012
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C#N)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H21N5O/c1-13-6-5-9-24(12-13)19-21-14(2)10-17(23-19)18(25)22-16-8-4-3-7-15(16)11-20/h3-4,7-8,10,13H,5-6,9,12H2,1-2H3,(H,22,25)
InChIKeyDXUIRELHKOVFIX-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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109334012) is N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2C#N)nc(N2CCCC(C)C2)n1.
What is the InChIKey of N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is DXUIRELHKOVFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-6-5-9-24(12-13)19-21-14(2)10-17(23-19)18(25)22-16-8-4-3-7-15(16)11-20/h3-4,7-8,10,13H,5-6,9,12H2,1-2H3,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-6-methyl-2-(3-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-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109334012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).