N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide

C24H21N5O2 — CID 73352676

IUPACN-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide
SMILESCO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C24H21N5O2/c1-17(28-31-2)19-9-11-23(29-13-12-25-16-29)22(14-19)27-24(30)20-8-10-21(26-15-20)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,27,30)/b28-17+
InChIKeyRKHFQOOMHRJYJM-OGLMXYFKSA-N
MW411.47 g/mol
LogP4.56
Rot. Bonds6

About N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide

N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide (PubChem CID 73352676) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide
PubChem CID73352676
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide
SMILESCO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C24H21N5O2/c1-17(28-31-2)19-9-11-23(29-13-12-25-16-29)22(14-19)27-24(30)20-8-10-21(26-15-20)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,27,30)/b28-17+
InChIKeyRKHFQOOMHRJYJM-OGLMXYFKSA-N
XLogP4.56
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide (CID 73352676) is N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide is CO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2ccc(-c3ccccc3)nc2)c1.
What is the InChIKey of N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is RKHFQOOMHRJYJM-OGLMXYFKSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-17(28-31-2)19-9-11-23(29-13-12-25-16-29)22(14-19)27-24(30)20-8-10-21(26-15-20)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,27,30)/b28-17+.
What are the key properties of N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide?
N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 73352676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).