N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide

C20H18FN3O2 — CID 109189659

IUPACN-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)NCc2ccc(F)cc2)nc1
InChIInChI=1S/C20H18FN3O2/c1-26-19-5-3-2-4-17(19)24-16-10-11-18(22-13-16)20(25)23-12-14-6-8-15(21)9-7-14/h2-11,13,24H,12H2,1H3,(H,23,25)
InChIKeyPSYYLRQMROEZRX-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.90
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide (PubChem CID 109189659) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide
PubChem CID109189659
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)NCc2ccc(F)cc2)nc1
InChIInChI=1S/C20H18FN3O2/c1-26-19-5-3-2-4-17(19)24-16-10-11-18(22-13-16)20(25)23-12-14-6-8-15(21)9-7-14/h2-11,13,24H,12H2,1H3,(H,23,25)
InChIKeyPSYYLRQMROEZRX-UHFFFAOYSA-N
XLogP3.90
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109189600
5-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189695
5-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190445
5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190439
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
N-[2-(4-fluorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109192365
5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193759
5-(2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191540
5-(2,4-difluoroanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199705
5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189418
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190229
5-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190451

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide (CID 109189659) is N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide is COc1ccccc1Nc1ccc(C(=O)NCc2ccc(F)cc2)nc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide?
The InChIKey is PSYYLRQMROEZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-26-19-5-3-2-4-17(19)24-16-10-11-18(22-13-16)20(25)23-12-14-6-8-15(21)9-7-14/h2-11,13,24H,12H2,1H3,(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109189659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).