N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide

C15H12FN3O2 — CID 171547696

IUPACN-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)NCc1ccccc1C#N
InChIInChI=1S/C15H12FN3O2/c1-21-15-13(6-12(16)9-19-15)14(20)18-8-11-5-3-2-4-10(11)7-17/h2-6,9H,8H2,1H3,(H,18,20)
InChIKeyIUHPZSFIVSUOHS-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.03
Rot. Bonds4

About N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide

N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide (PubChem CID 171547696) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
PubChem CID171547696
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC NameN-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)NCc1ccccc1C#N
InChIInChI=1S/C15H12FN3O2/c1-21-15-13(6-12(16)9-19-15)14(20)18-8-11-5-3-2-4-10(11)7-17/h2-6,9H,8H2,1H3,(H,18,20)
InChIKeyIUHPZSFIVSUOHS-UHFFFAOYSA-N
XLogP2.03
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542
2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 103891873
2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91350937
6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157211
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 58905325
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 112833774
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188237
2-N-(2-cyanophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085583

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide (CID 171547696) is N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide is COc1ncc(F)cc1C(=O)NCc1ccccc1C#N.
What is the InChIKey of N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
The InChIKey is IUHPZSFIVSUOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-21-15-13(6-12(16)9-19-15)14(20)18-8-11-5-3-2-4-10(11)7-17/h2-6,9H,8H2,1H3,(H,18,20).
What are the key properties of N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 171547696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).