4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide

C16H14ClFN2O — CID 81228554

IUPAC4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(c1cnccc1Cl)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H14ClFN2O/c17-15-6-7-19-9-14(15)16(21)20(13-4-5-13)10-11-2-1-3-12(18)8-11/h1-3,6-9,13H,4-5,10H2
InChIKeyFOWAHVBZDRYDBM-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.68
Rot. Bonds4

About 4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide

4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 81228554) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID81228554
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(c1cnccc1Cl)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H14ClFN2O/c17-15-6-7-19-9-14(15)16(21)20(13-4-5-13)10-11-2-1-3-12(18)8-11/h1-3,6-9,13H,4-5,10H2
InChIKeyFOWAHVBZDRYDBM-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 81229618
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide
CID 55593568
5-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625209
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115645755
2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 103754314
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide
CID 46998435
N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112817204
3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66484894
5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride
CID 154898433
4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 115115732

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide (CID 81228554) is 4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide is O=C(c1cnccc1Cl)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FOWAHVBZDRYDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-15-6-7-19-9-14(15)16(21)20(13-4-5-13)10-11-2-1-3-12(18)8-11/h1-3,6-9,13H,4-5,10H2.
What are the key properties of 4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide?
4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 304.75 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81228554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).