4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide

C16H18ClN3O — CID 109201013

IUPAC4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(NCc2ccccc2Cl)ccn1
InChIInChI=1S/C16H18ClN3O/c1-2-8-19-16(21)15-10-13(7-9-18-15)20-11-12-5-3-4-6-14(12)17/h3-7,9-10H,2,8,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyDTKPGZSVMPYFKK-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.49
Rot. Bonds6

About 4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide

4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide (PubChem CID 109201013) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide
PubChem CID109201013
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(NCc2ccccc2Cl)ccn1
InChIInChI=1S/C16H18ClN3O/c1-2-8-19-16(21)15-10-13(7-9-18-15)20-11-12-5-3-4-6-14(12)17/h3-7,9-10H,2,8,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyDTKPGZSVMPYFKK-UHFFFAOYSA-N
XLogP3.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 43517871
4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109211739
4-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211733
4-(2-ethylanilino)-N-propylpyridine-2-carboxamide
CID 109201085
N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211697
4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 61401901
6-[(2-chlorophenyl)methylamino]-N-propylpyridazine-3-carboxamide
CID 109109231
4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673
N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109205668
4-[(2-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109211770
4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109211753
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide (CID 109201013) is 4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide is CCCNC(=O)c1cc(NCc2ccccc2Cl)ccn1.
What is the InChIKey of 4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide?
The InChIKey is DTKPGZSVMPYFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-8-19-16(21)15-10-13(7-9-18-15)20-11-12-5-3-4-6-14(12)17/h3-7,9-10H,2,8,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide?
4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 109201013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).