N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide

C27H29N7O2 — CID 156524030

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Nc3ccccc3)cc2NC=O)c(C)n1
InChIInChI=1S/C27H29N7O2/c1-17-11-26(28)31-18(2)23(17)13-29-27(36)25-15-34(19(3)32-25)14-20-9-10-22(12-24(20)30-16-35)33-21-7-5-4-6-8-21/h4-12,15-16,33H,13-14H2,1-3H3,(H2,28,31)(H,29,36)(H,30,35)
InChIKeyZFKCZLLRSBCKDL-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.08
Rot. Bonds9

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide (PubChem CID 156524030) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide
PubChem CID156524030
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Nc3ccccc3)cc2NC=O)c(C)n1
InChIInChI=1S/C27H29N7O2/c1-17-11-26(28)31-18(2)23(17)13-29-27(36)25-15-34(19(3)32-25)14-20-9-10-22(12-24(20)30-16-35)33-21-7-5-4-6-8-21/h4-12,15-16,33H,13-14H2,1-3H3,(H2,28,31)(H,29,36)(H,30,35)
InChIKeyZFKCZLLRSBCKDL-UHFFFAOYSA-N
XLogP4.08
TPSA126.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide (CID 156524030) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Nc3ccccc3)cc2NC=O)c(C)n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide?
The InChIKey is ZFKCZLLRSBCKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-17-11-26(28)31-18(2)23(17)13-29-27(36)25-15-34(19(3)32-25)14-20-9-10-22(12-24(20)30-16-35)33-21-7-5-4-6-8-21/h4-12,15-16,33H,13-14H2,1-3H3,(H2,28,31)(H,29,36)(H,30,35).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 4.08, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 156524030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).