N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide

C22H18N4O — CID 70119777

IUPACN-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESCc1cccc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)n1
InChIInChI=1S/C22H18N4O/c1-15-8-7-11-17(24-15)14-23-26-22(27)21-20(16-9-3-2-4-10-16)18-12-5-6-13-19(18)25-21/h2-14,25H,1H3,(H,26,27)
InChIKeyKNOJYOOBQLPFCH-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.30
Rot. Bonds4

About N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide

N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 70119777) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
PubChem CID70119777
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESCc1cccc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)n1
InChIInChI=1S/C22H18N4O/c1-15-8-7-11-17(24-15)14-23-26-22(27)21-20(16-9-3-2-4-10-16)18-12-5-6-13-19(18)25-21/h2-14,25H,1H3,(H,26,27)
InChIKeyKNOJYOOBQLPFCH-UHFFFAOYSA-N
XLogP4.30
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135418261
3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide
CID 10157205
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884131
[2-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126402812
2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid
CID 91078245
3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 10272869
N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
CID 6371795
[4-bromo-2-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126400470
2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 3689306

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide (CID 70119777) is N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is Cc1cccc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is KNOJYOOBQLPFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-15-8-7-11-17(24-15)14-23-26-22(27)21-20(16-9-3-2-4-10-16)18-12-5-6-13-19(18)25-21/h2-14,25H,1H3,(H,26,27).
What are the key properties of N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70119777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).