N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide

C12H17ClN2O — CID 43274567

IUPACN-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
SMILESCCC(C)N(CC)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O/c1-4-9(3)15(5-2)12(16)10-6-7-11(13)14-8-10/h6-9H,4-5H2,1-3H3
InChIKeyZKZNJGVSNMZAFA-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.00
Rot. Bonds4

About N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide

N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide (PubChem CID 43274567) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
PubChem CID43274567
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
SMILESCCC(C)N(CC)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O/c1-4-9(3)15(5-2)12(16)10-6-7-11(13)14-8-10/h6-9H,4-5H2,1-3H3
InChIKeyZKZNJGVSNMZAFA-UHFFFAOYSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide
CID 43274566
6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746433
2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 62032806
N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 62243923
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 112551556
N-ethyl-6-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 63973149
6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
CID 66463467
2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
CID 60830074
6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 61042399
6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride
CID 88751278

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide (CID 43274567) is N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide is CCC(C)N(CC)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide?
The InChIKey is ZKZNJGVSNMZAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-9(3)15(5-2)12(16)10-6-7-11(13)14-8-10/h6-9H,4-5H2,1-3H3.
What are the key properties of N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide?
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide has a molecular weight of 240.73 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 43274567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).