N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide

C21H19FN4O2 — CID 109170520

IUPACN-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccnc(NCc3ccccc3F)c2)c1
InChIInChI=1S/C21H19FN4O2/c1-14(27)25-17-6-4-7-18(12-17)26-21(28)15-9-10-23-20(11-15)24-13-16-5-2-3-8-19(16)22/h2-12H,13H2,1H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyPWXQXEWYEJJETM-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.04
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide

N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109170520) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
PubChem CID109170520
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccnc(NCc3ccccc3F)c2)c1
InChIInChI=1S/C21H19FN4O2/c1-14(27)25-17-6-4-7-18(12-17)26-21(28)15-9-10-23-20(11-15)24-13-16-5-2-3-8-19(16)22/h2-12H,13H2,1H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyPWXQXEWYEJJETM-UHFFFAOYSA-N
XLogP4.04
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170529
N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109170025
N-(3,4-difluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169746
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171770
methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109171161
2-[(2-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 109170821

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide (CID 109170520) is N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccnc(NCc3ccccc3F)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is PWXQXEWYEJJETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-14(27)25-17-6-4-7-18(12-17)26-21(28)15-9-10-23-20(11-15)24-13-16-5-2-3-8-19(16)22/h2-12H,13H2,1H3,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide?
N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109170520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).