N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

C16H15N5O2 — CID 109343519

IUPACN-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C16H15N5O2/c17-10-12-1-3-13(4-2-12)20-16(22)14-9-15(19-11-18-14)21-5-7-23-8-6-21/h1-4,9,11H,5-8H2,(H,20,22)
InChIKeyJBMBTBQGAKSKDE-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.44
Rot. Bonds3

About N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109343519) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109343519
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C16H15N5O2/c17-10-12-1-3-13(4-2-12)20-16(22)14-9-15(19-11-18-14)21-5-7-23-8-6-21/h1-4,9,11H,5-8H2,(H,20,22)
InChIKeyJBMBTBQGAKSKDE-UHFFFAOYSA-N
XLogP1.44
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-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

6-(azepan-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109355588
N-(4-cyanophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342313
N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343498
N-(4-cyanophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350736
6-morpholin-4-yl-N-pyridin-3-ylpyrimidine-4-carboxamide
CID 91816399
6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide
CID 91816462
N-(4-cyanophenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109359625
N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 139021619
N-(4-cyanophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362875
N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 127267349
6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109345059
N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide
CID 146079163

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 109343519) is N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is N#Cc1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is JBMBTBQGAKSKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c17-10-12-1-3-13(4-2-12)20-16(22)14-9-15(19-11-18-14)21-5-7-23-8-6-21/h1-4,9,11H,5-8H2,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109343519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).