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

C25H21Cl2FN4O — CID 146370801

IUPACN-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
SMILESCc1cc(F)ccc1-c1cc(Cn2ccnc2C)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C25H21Cl2FN4O/c1-15-9-19(28)4-5-20(15)23-11-18(14-32-8-7-29-16(32)2)12-24(31-23)25(33)30-13-17-3-6-21(26)22(27)10-17/h3-12H,13-14H2,1-2H3,(H,30,33)
InChIKeyOUAHQXRMIPLGQF-UHFFFAOYSA-N
MW483.37 g/mol
LogP5.99
Rot. Bonds6

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

N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide (PubChem CID 146370801) has the molecular formula C25H21Cl2FN4O and a molecular weight of 483.37 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
PubChem CID146370801
Molecular FormulaC25H21Cl2FN4O
Molecular Weight483.37 g/mol
Exact Mass482.11
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
SMILESCc1cc(F)ccc1-c1cc(Cn2ccnc2C)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C25H21Cl2FN4O/c1-15-9-19(28)4-5-20(15)23-11-18(14-32-8-7-29-16(32)2)12-24(31-23)25(33)30-13-17-3-6-21(26)22(27)10-17/h3-12H,13-14H2,1-2H3,(H,30,33)
InChIKeyOUAHQXRMIPLGQF-UHFFFAOYSA-N
XLogP5.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.37
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide (CID 146370801) is N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide is Cc1cc(F)ccc1-c1cc(Cn2ccnc2C)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
The InChIKey is OUAHQXRMIPLGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2FN4O/c1-15-9-19(28)4-5-20(15)23-11-18(14-32-8-7-29-16(32)2)12-24(31-23)25(33)30-13-17-3-6-21(26)22(27)10-17/h3-12H,13-14H2,1-2H3,(H,30,33).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide has a molecular weight of 483.37 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 146370801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).