N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C19H17FN4O2 — CID 3239571

IUPACN-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H17FN4O2/c20-13-4-3-5-14(12-13)21-18(25)23-10-8-15(9-11-23)24-17-7-2-1-6-16(17)22-19(24)26/h1-8,12H,9-11H2,(H,21,25)(H,22,26)
InChIKeyYJAVNEAVYLFONN-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.25
Rot. Bonds2

About N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 3239571) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID3239571
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H17FN4O2/c20-13-4-3-5-14(12-13)21-18(25)23-10-8-15(9-11-23)24-17-7-2-1-6-16(17)22-19(24)26/h1-8,12H,9-11H2,(H,21,25)(H,22,26)
InChIKeyYJAVNEAVYLFONN-UHFFFAOYSA-N
XLogP3.25
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 3239571) is N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is YJAVNEAVYLFONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-13-4-3-5-14(12-13)21-18(25)23-10-8-15(9-11-23)24-17-7-2-1-6-16(17)22-19(24)26/h1-8,12H,9-11H2,(H,21,25)(H,22,26).
What are the key properties of N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 3239571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).