6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide

C12H17ClN2O — CID 43243478

IUPAC6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCN(CC(C)C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O/c1-4-15(8-9(2)3)12(16)10-5-6-11(13)14-7-10/h5-7,9H,4,8H2,1-3H3
InChIKeyXJPYKGFAIHQABO-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.85
Rot. Bonds4

About 6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide

6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 43243478) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID43243478
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCN(CC(C)C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O/c1-4-15(8-9(2)3)12(16)10-5-6-11(13)14-7-10/h5-7,9H,4,8H2,1-3H3
InChIKeyXJPYKGFAIHQABO-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 62032806
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 61042399
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 60738011
6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82966067
4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301
N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide
CID 62923762
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide (CID 43243478) is 6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide is CCN(CC(C)C)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is XJPYKGFAIHQABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-15(8-9(2)3)12(16)10-5-6-11(13)14-7-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide?
6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 240.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 43243478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).