N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide

C19H15N3O2 — CID 681581

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccncc4)ccc1c23
InChIInChI=1S/C19H15N3O2/c1-2-22-16-7-6-15(21-18(23)12-8-10-20-11-9-12)13-4-3-5-14(17(13)16)19(22)24/h3-11H,2H2,1H3,(H,21,23)
InChIKeyVPFPPKWZEFICIV-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.47
Rot. Bonds3

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide (PubChem CID 681581) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
PubChem CID681581
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccncc4)ccc1c23
InChIInChI=1S/C19H15N3O2/c1-2-22-16-7-6-15(21-18(23)12-8-10-20-11-9-12)13-4-3-5-14(17(13)16)19(22)24/h3-11H,2H2,1H3,(H,21,23)
InChIKeyVPFPPKWZEFICIV-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
CID 3998958
4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 3290648
4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4208820
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide
CID 41149488
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide
CID 4155639
4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 41363936
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
CID 7565002
4-[bis(2-methylpropyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4062998
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
CID 3238683
1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea
CID 23996835
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-oxochromene-3-carboxamide
CID 23794306
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-5-nitrothiophene-2-carboxamide
CID 2315989

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide (CID 681581) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide is CCN1C(=O)c2cccc3c(NC(=O)c4ccncc4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide?
The InChIKey is VPFPPKWZEFICIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-22-16-7-6-15(21-18(23)12-8-10-20-11-9-12)13-4-3-5-14(17(13)16)19(22)24/h3-11H,2H2,1H3,(H,21,23).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 681581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).