4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide

C24H20Cl2FN5O — CID 146456315

IUPAC4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(F)ccc1-c1cc(Cn2ccnc2N)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C24H20Cl2FN5O/c1-14-8-17(27)3-4-18(14)21-10-16(13-32-7-6-29-24(32)28)11-22(31-21)23(33)30-12-15-2-5-19(25)20(26)9-15/h2-11H,12-13H2,1H3,(H2,28,29)(H,30,33)
InChIKeyNYFNPKRIFORSQW-UHFFFAOYSA-N
MW484.36 g/mol
LogP5.26
Rot. Bonds6

About 4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide

4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 146456315) has the molecular formula C24H20Cl2FN5O and a molecular weight of 484.36 g/mol. Its IUPAC name is 4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID146456315
Molecular FormulaC24H20Cl2FN5O
Molecular Weight484.36 g/mol
Exact Mass483.10
IUPAC Name4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(F)ccc1-c1cc(Cn2ccnc2N)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C24H20Cl2FN5O/c1-14-8-17(27)3-4-18(14)21-10-16(13-32-7-6-29-24(32)28)11-22(31-21)23(33)30-12-15-2-5-19(25)20(26)9-15/h2-11H,12-13H2,1H3,(H2,28,29)(H,30,33)
InChIKeyNYFNPKRIFORSQW-UHFFFAOYSA-N
XLogP5.26
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.36
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide (CID 146456315) is 4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide is Cc1cc(F)ccc1-c1cc(Cn2ccnc2N)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is NYFNPKRIFORSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN5O/c1-14-8-17(27)3-4-18(14)21-10-16(13-32-7-6-29-24(32)28)11-22(31-21)23(33)30-12-15-2-5-19(25)20(26)9-15/h2-11H,12-13H2,1H3,(H2,28,29)(H,30,33).
What are the key properties of 4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide?
4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 484.36 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminoimidazol-1-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 146456315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).