N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide

C23H20N4O — CID 126004518

IUPACN-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide
SMILESCc1cccc(Cn2cc(/C=N\NC(=O)c3ccccn3)c3ccccc32)c1
InChIInChI=1S/C23H20N4O/c1-17-7-6-8-18(13-17)15-27-16-19(20-9-2-3-11-22(20)27)14-25-26-23(28)21-10-4-5-12-24-21/h2-14,16H,15H2,1H3,(H,26,28)/b25-14-
InChIKeyOVCRBQIPYMBIGA-QFEZKATASA-N
MW368.44 g/mol
LogP4.16
Rot. Bonds5

About N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide

N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide (PubChem CID 126004518) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide
PubChem CID126004518
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide
SMILESCc1cccc(Cn2cc(/C=N\NC(=O)c3ccccn3)c3ccccc32)c1
InChIInChI=1S/C23H20N4O/c1-17-7-6-8-18(13-17)15-27-16-19(20-9-2-3-11-22(20)27)14-25-26-23(28)21-10-4-5-12-24-21/h2-14,16H,15H2,1H3,(H,26,28)/b25-14-
InChIKeyOVCRBQIPYMBIGA-QFEZKATASA-N
XLogP4.16
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126274795
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126008005
3,5-dibromo-4-methoxy-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 3734601
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 6887954
2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide
CID 126059458
2-(2,4-dichlorophenoxy)-N-[(E)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126001556
3,4-dichloro-N-[3-methyl-1-[(2Z)-2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 6090625
4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3965951
N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126103928
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143816
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88863813
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide (CID 126004518) is N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide is Cc1cccc(Cn2cc(/C=N\NC(=O)c3ccccn3)c3ccccc32)c1.
What is the InChIKey of N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is OVCRBQIPYMBIGA-QFEZKATASA-N. The full InChI is InChI=1S/C23H20N4O/c1-17-7-6-8-18(13-17)15-27-16-19(20-9-2-3-11-22(20)27)14-25-26-23(28)21-10-4-5-12-24-21/h2-14,16H,15H2,1H3,(H,26,28)/b25-14-.
What are the key properties of N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide?
N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 126004518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).