6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide

C15H16ClN3O — CID 64694581

IUPAC6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide
SMILESCCc1ccccc1CNC(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C15H16ClN3O/c1-2-10-5-3-4-6-11(10)9-18-15(20)14-12(16)7-8-13(17)19-14/h3-8H,2,9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyTUOYFTKKMIYKAV-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.81
Rot. Bonds4

About 6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide

6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 64694581) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide
PubChem CID64694581
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide
SMILESCCc1ccccc1CNC(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C15H16ClN3O/c1-2-10-5-3-4-6-11(10)9-18-15(20)14-12(16)7-8-13(17)19-14/h3-8H,2,9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyTUOYFTKKMIYKAV-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378
6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
6-amino-3-chloro-N-methylpyridine-2-carboxamide
CID 62156050
6-amino-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 62159814
6-amino-3-chloro-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62156560
6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide
CID 62156376
6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841226
6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 62186305
6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide
CID 55041650
6-amino-3-chloro-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 55257710
3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 38539806
6-amino-3-chloro-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342640

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide (CID 64694581) is 6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide is CCc1ccccc1CNC(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is TUOYFTKKMIYKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-10-5-3-4-6-11(10)9-18-15(20)14-12(16)7-8-13(17)19-14/h3-8H,2,9H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide?
6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 64694581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).