N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide

C17H29N3O — CID 106027974

IUPACN-octan-4-yl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCCC(CCC)NC(=O)c1cnccc1NCCC
InChIInChI=1S/C17H29N3O/c1-4-7-9-14(8-5-2)20-17(21)15-13-18-12-10-16(15)19-11-6-3/h10,12-14H,4-9,11H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyAXSYFYYAKPJWAR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.99
Rot. Bonds10

About N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide

N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide (PubChem CID 106027974) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-octan-4-yl-4-(propylamino)pyridine-3-carboxamide
PubChem CID106027974
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-octan-4-yl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCCC(CCC)NC(=O)c1cnccc1NCCC
InChIInChI=1S/C17H29N3O/c1-4-7-9-14(8-5-2)20-17(21)15-13-18-12-10-16(15)19-11-6-3/h10,12-14H,4-9,11H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyAXSYFYYAKPJWAR-UHFFFAOYSA-N
XLogP3.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-octan-4-yl-4-(propylamino)pyridine-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

Related Compounds

4-hydrazinyl-N-octan-4-ylpyridine-3-carboxamide
CID 114138357
N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81242102
N-hexan-3-yl-4-hydrazinylpyridine-3-carboxamide
CID 81256728
4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81239560
N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide
CID 106027845
N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide
CID 81240356
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide
CID 106027806
4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 81236752
4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 81244963
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide (CID 106027974) is N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide is CCCCC(CCC)NC(=O)c1cnccc1NCCC.
What is the InChIKey of N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is AXSYFYYAKPJWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-7-9-14(8-5-2)20-17(21)15-13-18-12-10-16(15)19-11-6-3/h10,12-14H,4-9,11H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide?
N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106027974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).