2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide

C12H17ClN2O — CID 43430188

IUPAC2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
SMILESCCCC(C)N(C)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-4-5-9(2)15(3)12(16)10-6-7-14-11(13)8-10/h6-9H,4-5H2,1-3H3
InChIKeyVVHAFDAYHRFFES-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide

2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide (PubChem CID 43430188) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
PubChem CID43430188
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
SMILESCCCC(C)N(C)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-4-5-9(2)15(3)12(16)10-6-7-14-11(13)8-10/h6-9H,4-5H2,1-3H3
InChIKeyVVHAFDAYHRFFES-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

2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
CID 51891752
4-[methyl(pentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 112703111
3-bromo-4-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103841633
1-(2-chloro-4-pyridinyl)-3-ethylhexan-1-one
CID 131863187
2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61053425
4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730263
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 60749864
4-bromo-N-methyl-N-pentan-2-ylbenzamide
CID 43430203
1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one
CID 24723737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide (CID 43430188) is 2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide is CCCC(C)N(C)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide?
The InChIKey is VVHAFDAYHRFFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-5-9(2)15(3)12(16)10-6-7-14-11(13)8-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide?
2-chloro-N-methyl-N-pentan-2-ylpyridine-4-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 2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 43430188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).