6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide

C25H20Cl2FN5O2 — CID 146370874

IUPAC6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
SMILESCc1nccn1Cc1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)nc(-c2ccc(F)c(C(N)=O)c2)c1
InChIInChI=1S/C25H20Cl2FN5O2/c1-14-30-6-7-33(14)13-16-9-22(17-3-5-21(28)18(11-17)24(29)34)32-23(10-16)25(35)31-12-15-2-4-19(26)20(27)8-15/h2-11H,12-13H2,1H3,(H2,29,34)(H,31,35)
InChIKeyZWSLCWAUHOQXQN-UHFFFAOYSA-N
MW512.37 g/mol
LogP4.78
Rot. Bonds7

About 6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide

6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide (PubChem CID 146370874) has the molecular formula C25H20Cl2FN5O2 and a molecular weight of 512.37 g/mol. Its IUPAC name is 6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
PubChem CID146370874
Molecular FormulaC25H20Cl2FN5O2
Molecular Weight512.37 g/mol
Exact Mass511.10
IUPAC Name6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
SMILESCc1nccn1Cc1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)nc(-c2ccc(F)c(C(N)=O)c2)c1
InChIInChI=1S/C25H20Cl2FN5O2/c1-14-30-6-7-33(14)13-16-9-22(17-3-5-21(28)18(11-17)24(29)34)32-23(10-16)25(35)31-12-15-2-4-19(26)20(27)8-15/h2-11H,12-13H2,1H3,(H2,29,34)(H,31,35)
InChIKeyZWSLCWAUHOQXQN-UHFFFAOYSA-N
XLogP4.78
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.37
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide (CID 146370874) is 6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide is Cc1nccn1Cc1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)nc(-c2ccc(F)c(C(N)=O)c2)c1.
What is the InChIKey of 6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ZWSLCWAUHOQXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2FN5O2/c1-14-30-6-7-33(14)13-16-9-22(17-3-5-21(28)18(11-17)24(29)34)32-23(10-16)25(35)31-12-15-2-4-19(26)20(27)8-15/h2-11H,12-13H2,1H3,(H2,29,34)(H,31,35).
What are the key properties of 6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide has a molecular weight of 512.37 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbamoyl-4-fluorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 146370874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).