2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide

C13H17ClN2O — CID 60749864

IUPAC2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(C(=O)c1ccnc(Cl)c1)C1CC1
InChIInChI=1S/C13H17ClN2O/c1-9(2)8-16(11-3-4-11)13(17)10-5-6-15-12(14)7-10/h5-7,9,11H,3-4,8H2,1-2H3
InChIKeyXQGVETBJSCZHFZ-UHFFFAOYSA-N
MW252.75 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide

2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 60749864) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID60749864
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(C(=O)c1ccnc(Cl)c1)C1CC1
InChIInChI=1S/C13H17ClN2O/c1-9(2)8-16(11-3-4-11)13(17)10-5-6-15-12(14)7-10/h5-7,9,11H,3-4,8H2,1-2H3
InChIKeyXQGVETBJSCZHFZ-UHFFFAOYSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
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-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61053425
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid
CID 55001659
2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 60725190
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353
5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 55047231
5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 112725804
2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide
CID 43611005
3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 61107794
2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-4-carboxamide
CID 61215649
2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 43430188
4-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119292306

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide (CID 60749864) is 2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide is CC(C)CN(C(=O)c1ccnc(Cl)c1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is XQGVETBJSCZHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(2)8-16(11-3-4-11)13(17)10-5-6-15-12(14)7-10/h5-7,9,11H,3-4,8H2,1-2H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide?
2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 252.75 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-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 60749864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).