N-(azepan-4-yl)-1H-indole-4-carboxamide

C15H19N3O — CID 107172324

IUPACN-(azepan-4-yl)-1H-indole-4-carboxamide
SMILESO=C(NC1CCCNCC1)c1cccc2[nH]ccc12
InChIInChI=1S/C15H19N3O/c19-15(18-11-3-2-8-16-9-6-11)13-4-1-5-14-12(13)7-10-17-14/h1,4-5,7,10-11,16-17H,2-3,6,8-9H2,(H,18,19)
InChIKeyPLTYTCWFUDMFCP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.04
Rot. Bonds2

About N-(azepan-4-yl)-1H-indole-4-carboxamide

N-(azepan-4-yl)-1H-indole-4-carboxamide (PubChem CID 107172324) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(azepan-4-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-1H-indole-4-carboxamide
PubChem CID107172324
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(azepan-4-yl)-1H-indole-4-carboxamide
SMILESO=C(NC1CCCNCC1)c1cccc2[nH]ccc12
InChIInChI=1S/C15H19N3O/c19-15(18-11-3-2-8-16-9-6-11)13-4-1-5-14-12(13)7-10-17-14/h1,4-5,7,10-11,16-17H,2-3,6,8-9H2,(H,18,19)
InChIKeyPLTYTCWFUDMFCP-UHFFFAOYSA-N
XLogP2.04
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-3-yl-1H-indole-4-carboxamide
CID 63321491
N-[(3R)-piperidin-3-yl]-1H-indole-4-carboxamide
CID 104645556
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
N-(4-carbamoylcyclohexyl)-1H-indole-4-carboxamide
CID 61043628
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide
CID 91132074
N-(5-azaspiro[3.5]nonan-8-yl)-1H-indole-4-carboxamide
CID 43595331
N-(2-hydroxycyclohexyl)-1H-indole-4-carboxamide
CID 62366462
N-(azepan-4-yl)-2,3-dimethylbenzamide
CID 105060973
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1H-indole-4-carboxamide
CID 43594493
N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-4-carboxamide
CID 20872294
N-(2-aminocycloheptyl)-1H-indole-4-carboxamide
CID 63257895
N-(azepan-4-yl)-2,6-dihydroxybenzamide
CID 107690520

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-1H-indole-4-carboxamide?
The IUPAC name of N-(azepan-4-yl)-1H-indole-4-carboxamide (CID 107172324) is N-(azepan-4-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-1H-indole-4-carboxamide is O=C(NC1CCCNCC1)c1cccc2[nH]ccc12.
What is the InChIKey of N-(azepan-4-yl)-1H-indole-4-carboxamide?
The InChIKey is PLTYTCWFUDMFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15(18-11-3-2-8-16-9-6-11)13-4-1-5-14-12(13)7-10-17-14/h1,4-5,7,10-11,16-17H,2-3,6,8-9H2,(H,18,19).
What are the key properties of N-(azepan-4-yl)-1H-indole-4-carboxamide?
N-(azepan-4-yl)-1H-indole-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 107172324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).