2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide

C16H26ClN3O — CID 65042532

IUPAC2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NC(CC)(CC)CC)cc(Cl)n1
InChIInChI=1S/C16H26ClN3O/c1-5-9-18-14-11-12(10-13(17)19-14)15(21)20-16(6-2,7-3)8-4/h10-11H,5-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyTYLSSFKZXDPRSW-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.26
Rot. Bonds8

About 2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide

2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide (PubChem CID 65042532) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
PubChem CID65042532
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NC(CC)(CC)CC)cc(Cl)n1
InChIInChI=1S/C16H26ClN3O/c1-5-9-18-14-11-12(10-13(17)19-14)15(21)20-16(6-2,7-3)8-4/h10-11H,5-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyTYLSSFKZXDPRSW-UHFFFAOYSA-N
XLogP4.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 65038933
2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
CID 62171490
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62165467
2-chloro-6-(propylamino)pyridine-4-carbonyl azide
CID 90872001
2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62167493
2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide
CID 107643171
2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide
CID 103094848
2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 63245018
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide (CID 65042532) is 2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NC(CC)(CC)CC)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide?
The InChIKey is TYLSSFKZXDPRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-5-9-18-14-11-12(10-13(17)19-14)15(21)20-16(6-2,7-3)8-4/h10-11H,5-9H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide?
2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 65042532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).