2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide

C13H20ClN3O — CID 62200290

IUPAC2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
SMILESCCCCC(C)NC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C13H20ClN3O/c1-4-5-6-9(2)16-13(18)10-7-11(14)17-12(8-10)15-3/h7-9H,4-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyGPIULMIHIAPHLC-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.09
Rot. Bonds6

About 2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 62200290) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
PubChem CID62200290
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
SMILESCCCCC(C)NC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C13H20ClN3O/c1-4-5-6-9(2)16-13(18)10-7-11(14)17-12(8-10)15-3/h7-9H,4-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyGPIULMIHIAPHLC-UHFFFAOYSA-N
XLogP3.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.09
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-chloro-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 62169675
2-chloro-6-hydrazinyl-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 62242233
2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide
CID 109478884
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 115620351
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62177585
2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide
CID 62175806
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
CID 115649303
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 115679300
3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid
CID 103602717
2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide
CID 62236411

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide (CID 62200290) is 2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide is CCCCC(C)NC(=O)c1cc(Cl)nc(NC)c1.
What is the InChIKey of 2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is GPIULMIHIAPHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-5-6-9(2)16-13(18)10-7-11(14)17-12(8-10)15-3/h7-9H,4-6H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 269.78 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62200290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).