2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone

C17H14ClN5O — CID 58349293

IUPAC2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone
SMILESCN(c1cncnc1)c1ccnc(C(=O)Cc2cccc(Cl)n2)c1
InChIInChI=1S/C17H14ClN5O/c1-23(14-9-19-11-20-10-14)13-5-6-21-15(8-13)16(24)7-12-3-2-4-17(18)22-12/h2-6,8-11H,7H2,1H3
InChIKeyNMIHWDGQYHZTJD-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.11
Rot. Bonds5

About 2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone

2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone (PubChem CID 58349293) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone
PubChem CID58349293
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone
SMILESCN(c1cncnc1)c1ccnc(C(=O)Cc2cccc(Cl)n2)c1
InChIInChI=1S/C17H14ClN5O/c1-23(14-9-19-11-20-10-14)13-5-6-21-15(8-13)16(24)7-12-3-2-4-17(18)22-12/h2-6,8-11H,7H2,1H3
InChIKeyNMIHWDGQYHZTJD-UHFFFAOYSA-N
XLogP3.11
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone 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

4-[3-(aminomethyl)-N-methylanilino]pyridine-2-carboxamide
CID 62970299
2-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123785389
2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349295
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone
CID 147632074
4-(3-cyano-N-methylanilino)pyridine-2-carboxamide
CID 62983495
2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone
CID 162027843
4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 171327108
N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
CID 79039990
ethyl 2-[6-(6-chloro-2-pyridinyl)-2-pyridinyl]acetate
CID 89419539
N-(2-methoxyphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219451
N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 58337690

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone?
The IUPAC name of 2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone (CID 58349293) is 2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone?
The canonical SMILES for 2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone is CN(c1cncnc1)c1ccnc(C(=O)Cc2cccc(Cl)n2)c1.
What is the InChIKey of 2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone?
The InChIKey is NMIHWDGQYHZTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-23(14-9-19-11-20-10-14)13-5-6-21-15(8-13)16(24)7-12-3-2-4-17(18)22-12/h2-6,8-11H,7H2,1H3.
What are the key properties of 2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone?
2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone has a molecular weight of 339.79 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone is sourced from PubChem (CID 58349293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).