N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide

C24H18N4O2 — CID 139951411

IUPACN-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)nc1
InChIInChI=1S/C24H18N4O2/c25-19-8-1-2-9-20(19)27-23(29)16-11-12-17(26-13-16)14-28-21-10-4-6-15-5-3-7-18(22(15)21)24(28)30/h1-13H,14,25H2,(H,27,29)
InChIKeyPIFVNBXLDJITHO-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.23
Rot. Bonds4

About N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide (PubChem CID 139951411) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide
PubChem CID139951411
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC NameN-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)nc1
InChIInChI=1S/C24H18N4O2/c25-19-8-1-2-9-20(19)27-23(29)16-11-12-17(26-13-16)14-28-21-10-4-6-15-5-3-7-18(22(15)21)24(28)30/h1-13H,14,25H2,(H,27,29)
InChIKeyPIFVNBXLDJITHO-UHFFFAOYSA-N
XLogP4.23
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[(1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide
CID 139951393
1-[(5-bromo-2-pyridinyl)methyl]benzo[cd]indol-2-one
CID 104809117
1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]benzo[cd]indol-2-one
CID 51093406
N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 893347
2-(2-oxobenzo[cd]indol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 989246
N-[(E)-(2,6-difluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 6903945
N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide
CID 11723763
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid
CID 4737279
2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 1085704
methyl 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1084274
6-amino-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62155230

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide (CID 139951411) is N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide is Nc1ccccc1NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)nc1.
What is the InChIKey of N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide?
The InChIKey is PIFVNBXLDJITHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c25-19-8-1-2-9-20(19)27-23(29)16-11-12-17(26-13-16)14-28-21-10-4-6-15-5-3-7-18(22(15)21)24(28)30/h1-13H,14,25H2,(H,27,29).
What are the key properties of N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide?
N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 139951411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).