2-amino-5-chloro-N-octylpyridine-4-carboxamide

C14H22ClN3O — CID 114924255

IUPAC2-amino-5-chloro-N-octylpyridine-4-carboxamide
SMILESCCCCCCCCNC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C14H22ClN3O/c1-2-3-4-5-6-7-8-17-14(19)11-9-13(16)18-10-12(11)15/h9-10H,2-8H2,1H3,(H2,16,18)(H,17,19)
InChIKeyZYMJKGQZMBYHOQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.41
Rot. Bonds8

About 2-amino-5-chloro-N-octylpyridine-4-carboxamide

2-amino-5-chloro-N-octylpyridine-4-carboxamide (PubChem CID 114924255) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-amino-5-chloro-N-octylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-octylpyridine-4-carboxamide
PubChem CID114924255
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-amino-5-chloro-N-octylpyridine-4-carboxamide
SMILESCCCCCCCCNC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C14H22ClN3O/c1-2-3-4-5-6-7-8-17-14(19)11-9-13(16)18-10-12(11)15/h9-10H,2-8H2,1H3,(H2,16,18)(H,17,19)
InChIKeyZYMJKGQZMBYHOQ-UHFFFAOYSA-N
XLogP3.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-5-chloro-N-octylpyridine-4-carboxamide 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

2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 114922789
5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide
CID 122134316
2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114923433
4-chloro-N-decyl-6-methylpyridine-3-carboxamide
CID 81227523
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 114922479
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114922239
2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 114922684
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
N-(5-amino-5-oxopentyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106241124
5-amino-2-bromo-N-hexylpyridine-3-carboxamide
CID 166390886

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-octylpyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-octylpyridine-4-carboxamide (CID 114924255) is 2-amino-5-chloro-N-octylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-octylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-octylpyridine-4-carboxamide is CCCCCCCCNC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-octylpyridine-4-carboxamide?
The InChIKey is ZYMJKGQZMBYHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-2-3-4-5-6-7-8-17-14(19)11-9-13(16)18-10-12(11)15/h9-10H,2-8H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-5-chloro-N-octylpyridine-4-carboxamide?
2-amino-5-chloro-N-octylpyridine-4-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-octylpyridine-4-carboxamide is sourced from PubChem (CID 114924255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).