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

C16H14BrFN2O — CID 103754314

IUPAC2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(c1ccnc(Br)c1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H14BrFN2O/c17-15-9-12(6-7-19-15)16(21)20(14-4-5-14)10-11-2-1-3-13(18)8-11/h1-3,6-9,14H,4-5,10H2
InChIKeyWQSNLRXTEQMTLA-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.79
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide

2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 103754314) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
PubChem CID103754314
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(c1ccnc(Br)c1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H14BrFN2O/c17-15-9-12(6-7-19-15)16(21)20(14-4-5-14)10-11-2-1-3-13(18)8-11/h1-3,6-9,14H,4-5,10H2
InChIKeyWQSNLRXTEQMTLA-UHFFFAOYSA-N
XLogP3.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.79
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

N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62788943
2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
CID 103752625
5-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625209
4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 81228554
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112816253
N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 138998904
2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55583728
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 40643505
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 40643489

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide (CID 103754314) is 2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide is O=C(c1ccnc(Br)c1)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is WQSNLRXTEQMTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c17-15-9-12(6-7-19-15)16(21)20(14-4-5-14)10-11-2-1-3-13(18)8-11/h1-3,6-9,14H,4-5,10H2.
What are the key properties of 2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide?
2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 349.20 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103754314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).