N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide

C17H27N3O — CID 105067977

IUPACN-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NC1CCCCCCC1
InChIInChI=1S/C17H27N3O/c1-2-11-19-16-13-18-12-10-15(16)17(21)20-14-8-6-4-3-5-7-9-14/h10,12-14,19H,2-9,11H2,1H3,(H,20,21)
InChIKeyJYBIUHYNWOTBAG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.75
Rot. Bonds5

About N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide

N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105067977) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
PubChem CID105067977
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NC1CCCCCCC1
InChIInChI=1S/C17H27N3O/c1-2-11-19-16-13-18-12-10-15(16)17(21)20-14-8-6-4-3-5-7-9-14/h10,12-14,19H,2-9,11H2,1H3,(H,20,21)
InChIKeyJYBIUHYNWOTBAG-UHFFFAOYSA-N
XLogP3.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclooctyl-3-(propylamino)pyridine-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

N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
3-(ethylamino)-N-(2-hydroxycycloheptyl)pyridine-4-carboxamide
CID 105071069
N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide
CID 81235124
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105070797
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
N-cyclopropyl-3-(methylamino)pyridine-4-carboxamide
CID 105068162
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339
N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142
3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 105070782
3-(ethylamino)-N-(1-ethylpiperidin-3-yl)pyridine-4-carboxamide
CID 105069157

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide (CID 105067977) is N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is JYBIUHYNWOTBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-11-19-16-13-18-12-10-15(16)17(21)20-14-8-6-4-3-5-7-9-14/h10,12-14,19H,2-9,11H2,1H3,(H,20,21).
What are the key properties of N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide?
N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105067977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).