2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide

C12H14ClFN2O — CID 103891975

IUPAC2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C12H14ClFN2O/c1-7(8-3-4-8)16(2)12(17)10-5-9(14)6-15-11(10)13/h5-8H,3-4H2,1-2H3
InChIKeyHPPYGJVNDGYBCC-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.74
Rot. Bonds3

About 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide

2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 103891975) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide
PubChem CID103891975
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C12H14ClFN2O/c1-7(8-3-4-8)16(2)12(17)10-5-9(14)6-15-11(10)13/h5-8H,3-4H2,1-2H3
InChIKeyHPPYGJVNDGYBCC-UHFFFAOYSA-N
XLogP2.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.74
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

5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 62001192
2-chloro-5-fluoro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 103893092
5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide
CID 60724229
3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide
CID 107120546
N-(1-cyclopropylethyl)-2,5-difluoro-N-methyl-3-nitrobenzamide
CID 107121820
5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420549
4-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420563
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034158
1-(2-chloro-5-fluoro-3-pyridinyl)ethanone;methylcyclohexane
CID 142991897
6-amino-5-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 62156018
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103892317
4-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 43420571

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide (CID 103891975) is 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide is CC(C1CC1)N(C)C(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is HPPYGJVNDGYBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c1-7(8-3-4-8)16(2)12(17)10-5-9(14)6-15-11(10)13/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide?
2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 256.71 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 103891975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).