3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide

C14H22ClN3O — CID 62171311

IUPAC3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NC(CC)CC)n1
InChIInChI=1S/C14H22ClN3O/c1-4-9-16-12-8-7-11(15)13(18-12)14(19)17-10(5-2)6-3/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyKMLJHJHLTICDQU-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.48
Rot. Bonds7

About 3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide

3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62171311) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
PubChem CID62171311
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NC(CC)CC)n1
InChIInChI=1S/C14H22ClN3O/c1-4-9-16-12-8-7-11(15)13(18-12)14(19)17-10(5-2)6-3/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyKMLJHJHLTICDQU-UHFFFAOYSA-N
XLogP3.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-methylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 62691457
3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide
CID 62177024
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 62168552
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
CID 62165038
3-chloro-6-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 55047136
3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914367
3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62167329
N-(2-bromophenyl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
CID 62165496
3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 116788007
3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064677
3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide
CID 62174427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide (CID 62171311) is 3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)NC(CC)CC)n1.
What is the InChIKey of 3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is KMLJHJHLTICDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-9-16-12-8-7-11(15)13(18-12)14(19)17-10(5-2)6-3/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide?
3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62171311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).