[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

C21H23N3O2 — CID 109090729

IUPAC[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cc(C(=O)N2CCc3ccccc32)ccn1)N1CCCCCC1
InChIInChI=1S/C21H23N3O2/c25-20(24-14-10-16-7-3-4-8-19(16)24)17-9-11-22-18(15-17)21(26)23-12-5-1-2-6-13-23/h3-4,7-9,11,15H,1-2,5-6,10,12-14H2
InChIKeyQFIWCHUAJDIXID-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.30
Rot. Bonds2

About [2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109090729) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109090729
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cc(C(=O)N2CCc3ccccc32)ccn1)N1CCCCCC1
InChIInChI=1S/C21H23N3O2/c25-20(24-14-10-16-7-3-4-8-19(16)24)17-9-11-22-18(15-17)21(26)23-12-5-1-2-6-13-23/h3-4,7-9,11,15H,1-2,5-6,10,12-14H2
InChIKeyQFIWCHUAJDIXID-UHFFFAOYSA-N
XLogP3.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109084967
2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone
CID 109088614
[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109087851
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
[4-(2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203702
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081719
N-tert-butyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109089256
(2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109081337
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204447
2-(2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109090812
N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109085439

Frequently Asked Questions

What is the IUPAC name of [2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 109090729) is [2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1cc(C(=O)N2CCc3ccccc32)ccn1)N1CCCCCC1.
What is the InChIKey of [2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is QFIWCHUAJDIXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(24-14-10-16-7-3-4-8-19(16)24)17-9-11-22-18(15-17)21(26)23-12-5-1-2-6-13-23/h3-4,7-9,11,15H,1-2,5-6,10,12-14H2.
What are the key properties of [2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 349.43 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109090729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).