3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide

C14H22ClN3O — CID 55046891

IUPAC3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NCC(C)(C)C)n1
InChIInChI=1S/C14H22ClN3O/c1-5-8-16-11-7-6-10(15)12(18-11)13(19)17-9-14(2,3)4/h6-7H,5,8-9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyIKHYSXYBUAQJEQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.33
Rot. Bonds5

About 3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide

3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 55046891) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID55046891
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NCC(C)(C)C)n1
InChIInChI=1S/C14H22ClN3O/c1-5-8-16-11-7-6-10(15)12(18-11)13(19)17-9-14(2,3)4/h6-7H,5,8-9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyIKHYSXYBUAQJEQ-UHFFFAOYSA-N
XLogP3.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-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

Pyridine amide, 13
CID 44236999
2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 24686910
N-cyclohexyl-6-(piperidin-1-yl)picolinamide
CID 67467060
N-(5-chloropyridin-2-yl)pyridine-2-carboxamide
CID 3421108
4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 25346044
6-amino-N-methylpyridine-2-carboxamide
CID 54593975
6-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide
CID 62154321
4-chloro-N-(6-methylpyridin-2-yl)-1H-pyrrole-2-carboxamide
CID 18107264
N-methyl-6-[2-(3-methylpiperidin-1-yl)ethylamino]pyridine-2-carboxamide
CID 71862484
2-[(5-chloro-6-cyano-2-pyridinyl)amino]-N,N-diethylacetamide
CID 72020288
5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide
CID 75484431
4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide
CID 75501648

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide (CID 55046891) is 3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)NCC(C)(C)C)n1.
What is the InChIKey of 3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is IKHYSXYBUAQJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-5-8-16-11-7-6-10(15)12(18-11)13(19)17-9-14(2,3)4/h6-7H,5,8-9H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide?
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 55046891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).