6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide

C21H21ClN4O — CID 133364093

IUPAC6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nc1
InChIInChI=1S/C21H21ClN4O/c1-2-11-24-21(27)16-9-10-19(25-14-16)26-20(18-8-3-4-12-23-18)15-6-5-7-17(22)13-15/h3-10,12-14,20H,2,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyJTRONIZEECITSJ-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.47
Rot. Bonds7

About 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide

6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide (PubChem CID 133364093) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide
PubChem CID133364093
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nc1
InChIInChI=1S/C21H21ClN4O/c1-2-11-24-21(27)16-9-10-19(25-14-16)26-20(18-8-3-4-12-23-18)15-6-5-7-17(22)13-15/h3-10,12-14,20H,2,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyJTRONIZEECITSJ-UHFFFAOYSA-N
XLogP4.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide (CID 133364093) is 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nc1.
What is the InChIKey of 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide?
The InChIKey is JTRONIZEECITSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-2-11-24-21(27)16-9-10-19(25-14-16)26-20(18-8-3-4-12-23-18)15-6-5-7-17(22)13-15/h3-10,12-14,20H,2,11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide?
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 133364093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).