N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide

C22H18N4O — CID 3909937

IUPACN-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
SMILESCn1c(-c2ccccc2)c(C=NNC(=O)c2cccnc2)c2ccccc21
InChIInChI=1S/C22H18N4O/c1-26-20-12-6-5-11-18(20)19(21(26)16-8-3-2-4-9-16)15-24-25-22(27)17-10-7-13-23-14-17/h2-15H,1H3,(H,25,27)
InChIKeyQVVMARXLFCDRMV-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.00
Rot. Bonds4

About N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide

N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 3909937) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID3909937
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
SMILESCn1c(-c2ccccc2)c(C=NNC(=O)c2cccnc2)c2ccccc21
InChIInChI=1S/C22H18N4O/c1-26-20-12-6-5-11-18(20)19(21(26)16-8-3-2-4-9-16)15-24-25-22(27)17-10-7-13-23-14-17/h2-15H,1H3,(H,25,27)
InChIKeyQVVMARXLFCDRMV-UHFFFAOYSA-N
XLogP4.00
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.00
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

4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide
CID 2443438
N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide
CID 8892980
1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide
CID 3882567
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135421558
N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 760108
N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 4661141
N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide
CID 67625173
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
[1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 6002854
[1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 4071178
N-[(E)-(2-benzyl-3-hydroxy-1-oxoisoquinolin-4-yl)methylideneamino]pyridine-3-carboxamide
CID 135519928
2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine
CID 22314271

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide (CID 3909937) is N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide is Cn1c(-c2ccccc2)c(C=NNC(=O)c2cccnc2)c2ccccc21.
What is the InChIKey of N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is QVVMARXLFCDRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-26-20-12-6-5-11-18(20)19(21(26)16-8-3-2-4-9-16)15-24-25-22(27)17-10-7-13-23-14-17/h2-15H,1H3,(H,25,27).
What are the key properties of N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide?
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3909937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).