3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide

C16H18ClN3O — CID 113024131

IUPAC3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
SMILESCC(C)CNc1ccc(NC(=O)c2cccc(Cl)c2)nc1
InChIInChI=1S/C16H18ClN3O/c1-11(2)9-18-14-6-7-15(19-10-14)20-16(21)12-4-3-5-13(17)8-12/h3-8,10-11,18H,9H2,1-2H3,(H,19,20,21)
InChIKeyPTHZAPYMBYCIEU-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.06
Rot. Bonds5

About 3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide

3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide (PubChem CID 113024131) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
PubChem CID113024131
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
SMILESCC(C)CNc1ccc(NC(=O)c2cccc(Cl)c2)nc1
InChIInChI=1S/C16H18ClN3O/c1-11(2)9-18-14-6-7-15(19-10-14)20-16(21)12-4-3-5-13(17)8-12/h3-8,10-11,18H,9H2,1-2H3,(H,19,20,21)
InChIKeyPTHZAPYMBYCIEU-UHFFFAOYSA-N
XLogP4.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide 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-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101
3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026717
N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide
CID 113009751
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028357
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035276
3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017754
3-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011684
3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide
CID 113010961
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide (CID 113024131) is 3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide is CC(C)CNc1ccc(NC(=O)c2cccc(Cl)c2)nc1.
What is the InChIKey of 3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide?
The InChIKey is PTHZAPYMBYCIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(2)9-18-14-6-7-15(19-10-14)20-16(21)12-4-3-5-13(17)8-12/h3-8,10-11,18H,9H2,1-2H3,(H,19,20,21).
What are the key properties of 3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide?
3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide has a molecular weight of 303.79 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113024131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).