N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide

C16H14ClFN2O — CID 115645755

IUPACN-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide
SMILESO=C(c1ccncc1F)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H14ClFN2O/c17-12-3-1-11(2-4-12)10-20(13-5-6-13)16(21)14-7-8-19-9-15(14)18/h1-4,7-9,13H,5-6,10H2
InChIKeyJLEKYXIXHPELJY-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.68
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide (PubChem CID 115645755) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide
PubChem CID115645755
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide
SMILESO=C(c1ccncc1F)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H14ClFN2O/c17-12-3-1-11(2-4-12)10-20(13-5-6-13)16(21)14-7-8-19-9-15(14)18/h1-4,7-9,13H,5-6,10H2
InChIKeyJLEKYXIXHPELJY-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

3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66484894
4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 81229618
N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645728
N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115646013
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 64949112
4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 81228554
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-fluoropyridine-4-carboxamide
CID 115645919
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
N-[(4S)-azepan-4-yl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 129476433
N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645270

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide (CID 115645755) is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide is O=C(c1ccncc1F)N(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide?
The InChIKey is JLEKYXIXHPELJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-12-3-1-11(2-4-12)10-20(13-5-6-13)16(21)14-7-8-19-9-15(14)18/h1-4,7-9,13H,5-6,10H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-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 N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115645755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).