1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide

C19H21N3O — CID 71704832

IUPAC1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide
SMILESCC(C)n1ccc2ccc(C(=O)NCCc3ccncc3)cc21
InChIInChI=1S/C19H21N3O/c1-14(2)22-12-8-16-3-4-17(13-18(16)22)19(23)21-11-7-15-5-9-20-10-6-15/h3-6,8-10,12-14H,7,11H2,1-2H3,(H,21,23)
InChIKeyMAHDZYYXHKJDRL-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.59
Rot. Bonds5

About 1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide

1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide (PubChem CID 71704832) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide
PubChem CID71704832
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide
SMILESCC(C)n1ccc2ccc(C(=O)NCCc3ccncc3)cc21
InChIInChI=1S/C19H21N3O/c1-14(2)22-12-8-16-3-4-17(13-18(16)22)19(23)21-11-7-15-5-9-20-10-6-15/h3-6,8-10,12-14H,7,11H2,1-2H3,(H,21,23)
InChIKeyMAHDZYYXHKJDRL-UHFFFAOYSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
CID 112530368
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-7-carboxamide
CID 112530202
3-methyl-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 112530190
N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide
CID 97264616
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 62680036
3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
CID 61104259
6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide
CID 45497150
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide?
The IUPAC name of 1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide (CID 71704832) is 1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide is CC(C)n1ccc2ccc(C(=O)NCCc3ccncc3)cc21.
What is the InChIKey of 1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide?
The InChIKey is MAHDZYYXHKJDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14(2)22-12-8-16-3-4-17(13-18(16)22)19(23)21-11-7-15-5-9-20-10-6-15/h3-6,8-10,12-14H,7,11H2,1-2H3,(H,21,23).
What are the key properties of 1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide?
1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide is sourced from PubChem (CID 71704832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).