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

C24H21Cl2N5O — CID 146370778

IUPACN-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide
SMILESCc1cnccc1-c1cc(Cn2ccnc2C)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C24H21Cl2N5O/c1-15-12-27-6-5-19(15)22-10-18(14-31-8-7-28-16(31)2)11-23(30-22)24(32)29-13-17-3-4-20(25)21(26)9-17/h3-12H,13-14H2,1-2H3,(H,29,32)
InChIKeyZLSUBDOORBXNEU-UHFFFAOYSA-N
MW466.37 g/mol
LogP5.24
Rot. Bonds6

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

N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide (PubChem CID 146370778) has the molecular formula C24H21Cl2N5O and a molecular weight of 466.37 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide
PubChem CID146370778
Molecular FormulaC24H21Cl2N5O
Molecular Weight466.37 g/mol
Exact Mass465.11
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide
SMILESCc1cnccc1-c1cc(Cn2ccnc2C)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C24H21Cl2N5O/c1-15-12-27-6-5-19(15)22-10-18(14-31-8-7-28-16(31)2)11-23(30-22)24(32)29-13-17-3-4-20(25)21(26)9-17/h3-12H,13-14H2,1-2H3,(H,29,32)
InChIKeyZLSUBDOORBXNEU-UHFFFAOYSA-N
XLogP5.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide (CID 146370778) is N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide is Cc1cnccc1-c1cc(Cn2ccnc2C)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide?
The InChIKey is ZLSUBDOORBXNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N5O/c1-15-12-27-6-5-19(15)22-10-18(14-31-8-7-28-16(31)2)11-23(30-22)24(32)29-13-17-3-4-20(25)21(26)9-17/h3-12H,13-14H2,1-2H3,(H,29,32).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide has a molecular weight of 466.37 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 146370778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).