1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide

C16H15N3O2 — CID 22382483

IUPAC1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)N(C(=O)Cc1ccncc1)CC2
InChIInChI=1S/C16H15N3O2/c17-16(21)13-2-1-12-5-8-19(14(12)10-13)15(20)9-11-3-6-18-7-4-11/h1-4,6-7,10H,5,8-9H2,(H2,17,21)
InChIKeyBQMBSHIEBDSREQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.31
Rot. Bonds3

About 1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide

1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide (PubChem CID 22382483) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide
PubChem CID22382483
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)N(C(=O)Cc1ccncc1)CC2
InChIInChI=1S/C16H15N3O2/c17-16(21)13-2-1-12-5-8-19(14(12)10-13)15(20)9-11-3-6-18-7-4-11/h1-4,6-7,10H,5,8-9H2,(H2,17,21)
InChIKeyBQMBSHIEBDSREQ-UHFFFAOYSA-N
XLogP1.31
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid
CID 154780775
methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate
CID 22382719
1-acetyl-2,3-dihydroindole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 172687576
2-(2-pyridin-4-ylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997240
1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone
CID 167754497
1-(2-aminoacetyl)-2,3-dihydroindole-6-carboxamide;2-[3-(aminomethyl)-N-benzoylanilino]acetic acid
CID 70089119
1-(2-methylsulfonylacetyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382365
1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone
CID 62389016
2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103493820
1-(2-aminoacetyl)-2,3-dihydroindole-6-carboxamide;2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;hydrochloride
CID 69369169
2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 136513866
2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone
CID 110634411

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide (CID 22382483) is 1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide is NC(=O)c1ccc2c(c1)N(C(=O)Cc1ccncc1)CC2.
What is the InChIKey of 1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide?
The InChIKey is BQMBSHIEBDSREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-16(21)13-2-1-12-5-8-19(14(12)10-13)15(20)9-11-3-6-18-7-4-11/h1-4,6-7,10H,5,8-9H2,(H2,17,21).
What are the key properties of 1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide?
1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 22382483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).