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

C18H19N5O — CID 109299125

IUPACN-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCN(c2nccc(C(=O)Nc3ccccc3C#N)n2)CC1
InChIInChI=1S/C18H19N5O/c1-13-7-10-23(11-8-13)18-20-9-6-16(22-18)17(24)21-15-5-3-2-4-14(15)12-19/h2-6,9,13H,7-8,10-11H2,1H3,(H,21,24)
InChIKeyDNAXAGGZUNIHSN-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.84
Rot. Bonds3

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

N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109299125) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109299125
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCN(c2nccc(C(=O)Nc3ccccc3C#N)n2)CC1
InChIInChI=1S/C18H19N5O/c1-13-7-10-23(11-8-13)18-20-9-6-16(22-18)17(24)21-15-5-3-2-4-14(15)12-19/h2-6,9,13H,7-8,10-11H2,1H3,(H,21,24)
InChIKeyDNAXAGGZUNIHSN-UHFFFAOYSA-N
XLogP2.84
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299069
N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299118
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299068
N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334012
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299122
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124222
N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109309344
1-(2-cyanophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992543
N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090441
2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312704
N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-4-carboxamide
CID 109310104

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109299125) is N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCN(c2nccc(C(=O)Nc3ccccc3C#N)n2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is DNAXAGGZUNIHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-7-10-23(11-8-13)18-20-9-6-16(22-18)17(24)21-15-5-3-2-4-14(15)12-19/h2-6,9,13H,7-8,10-11H2,1H3,(H,21,24).
What are the key properties of N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109299125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).