2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide

C19H21N3O2 — CID 74240615

IUPAC2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCCc2c[nH]c3c(C)cccc23)cc(=O)[nH]1
InChIInChI=1S/C19H21N3O2/c1-3-15-9-14(10-17(23)22-15)19(24)20-8-7-13-11-21-18-12(2)5-4-6-16(13)18/h4-6,9-11,21H,3,7-8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyYYPJSGKNGNNJGD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.70
Rot. Bonds5

About 2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide

2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 74240615) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID74240615
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCCc2c[nH]c3c(C)cccc23)cc(=O)[nH]1
InChIInChI=1S/C19H21N3O2/c1-3-15-9-14(10-17(23)22-15)19(24)20-8-7-13-11-21-18-12(2)5-4-6-16(13)18/h4-6,9-11,21H,3,7-8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyYYPJSGKNGNNJGD-UHFFFAOYSA-N
XLogP2.70
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
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5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 167925600
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
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CID 122003467
7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 119781315
(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119322305
3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 119951412
2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120632210
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-[3-[(S)-methylsulfinyl]propyl]urea
CID 97318805
2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide
CID 74247398
1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 124726945

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide (CID 74240615) is 2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide is CCc1cc(C(=O)NCCc2c[nH]c3c(C)cccc23)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is YYPJSGKNGNNJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-15-9-14(10-17(23)22-15)19(24)20-8-7-13-11-21-18-12(2)5-4-6-16(13)18/h4-6,9-11,21H,3,7-8H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide?
2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 74240615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).