N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide

C18H13ClN6O — CID 58349166

IUPACN-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide
SMILESCN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C18H13ClN6O/c1-25(15-9-21-11-22-10-15)14-6-16(19)23-17(7-14)24-18(26)13-4-2-3-12(5-13)8-20/h2-7,9-11H,1H3,(H,23,24,26)
InChIKeyGITCKLOSLAQQFT-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.42
Rot. Bonds4

About N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide

N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide (PubChem CID 58349166) has the molecular formula C18H13ClN6O and a molecular weight of 364.80 g/mol. Its IUPAC name is N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide
PubChem CID58349166
Molecular FormulaC18H13ClN6O
Molecular Weight364.80 g/mol
Exact Mass364.08
IUPAC NameN-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide
SMILESCN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C18H13ClN6O/c1-25(15-9-21-11-22-10-15)14-6-16(19)23-17(7-14)24-18(26)13-4-2-3-12(5-13)8-20/h2-7,9-11H,1H3,(H,23,24,26)
InChIKeyGITCKLOSLAQQFT-UHFFFAOYSA-N
XLogP3.42
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide 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

3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide
CID 51038160
3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 58349136
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid
CID 61319190
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide
CID 58337699
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302755
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
3-cyano-N-(5-iodo-2-pyridinyl)benzamide
CID 65098930
3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 30272011

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide?
The IUPAC name of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide (CID 58349166) is N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide.
What is the SMILES notation for N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide?
The canonical SMILES for N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide is CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(C#N)c2)c1.
What is the InChIKey of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide?
The InChIKey is GITCKLOSLAQQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O/c1-25(15-9-21-11-22-10-15)14-6-16(19)23-17(7-14)24-18(26)13-4-2-3-12(5-13)8-20/h2-7,9-11H,1H3,(H,23,24,26).
What are the key properties of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide?
N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide has a molecular weight of 364.80 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide is sourced from PubChem (CID 58349166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).