6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide

C15H16ClN3O — CID 115601161

IUPAC6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide
SMILESCC(CNC(=O)c1cnc(N)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-10(11-5-3-2-4-6-11)8-19-15(20)12-7-13(16)14(17)18-9-12/h2-7,9-10H,8H2,1H3,(H2,17,18)(H,19,20)
InChIKeySRPYJJUXAXIPFJ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.85
Rot. Bonds4

About 6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide

6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide (PubChem CID 115601161) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide
PubChem CID115601161
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide
SMILESCC(CNC(=O)c1cnc(N)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-10(11-5-3-2-4-6-11)8-19-15(20)12-7-13(16)14(17)18-9-12/h2-7,9-10H,8H2,1H3,(H2,17,18)(H,19,20)
InChIKeySRPYJJUXAXIPFJ-UHFFFAOYSA-N
XLogP2.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 62186973
2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 46520684
6-amino-5-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 55043054
6-amino-5-chloro-N-propylpyridine-3-carboxamide
CID 62156037
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
6-amino-5-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 78990903
2-amino-3-chloro-N-(2-phenylpropyl)benzamide
CID 115540226
6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 55043681
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide (CID 115601161) is 6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide is CC(CNC(=O)c1cnc(N)c(Cl)c1)c1ccccc1.
What is the InChIKey of 6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is SRPYJJUXAXIPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10(11-5-3-2-4-6-11)8-19-15(20)12-7-13(16)14(17)18-9-12/h2-7,9-10H,8H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of 6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide?
6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 115601161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).