N-(2-aminocycloheptyl)-1H-indole-4-carboxamide

C16H21N3O — CID 63257895

IUPACN-(2-aminocycloheptyl)-1H-indole-4-carboxamide
SMILESNC1CCCCCC1NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H21N3O/c17-13-6-2-1-3-7-15(13)19-16(20)12-5-4-8-14-11(12)9-10-18-14/h4-5,8-10,13,15,18H,1-3,6-7,17H2,(H,19,20)
InChIKeyBGGQNIPUBUDUSH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds2

About N-(2-aminocycloheptyl)-1H-indole-4-carboxamide

N-(2-aminocycloheptyl)-1H-indole-4-carboxamide (PubChem CID 63257895) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-1H-indole-4-carboxamide
PubChem CID63257895
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-aminocycloheptyl)-1H-indole-4-carboxamide
SMILESNC1CCCCCC1NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H21N3O/c17-13-6-2-1-3-7-15(13)19-16(20)12-5-4-8-14-11(12)9-10-18-14/h4-5,8-10,13,15,18H,1-3,6-7,17H2,(H,19,20)
InChIKeyBGGQNIPUBUDUSH-UHFFFAOYSA-N
XLogP2.56
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxycyclohexyl)-1H-indole-4-carboxamide
CID 62366462
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
N-(2-aminocyclopentyl)-1H-indole-3-carboxamide
CID 63251414
N-[(1R,2R)-2-aminocyclohexyl]-1H-indole-7-carboxamide
CID 102724878
N-(2-cyanocyclopentyl)-1H-indole-4-carboxamide
CID 55153670
N-(2-ethylcyclopropyl)-1H-indole-4-carboxamide
CID 103721300
N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 61038006
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159
N-(4-carbamoylcyclohexyl)-1H-indole-4-carboxamide
CID 61043628
N-piperidin-3-yl-1H-indole-4-carboxamide
CID 63321491
N-[(3R)-piperidin-3-yl]-1H-indole-4-carboxamide
CID 104645556
N-(azepan-4-yl)-1H-indole-4-carboxamide
CID 107172324

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(2-aminocycloheptyl)-1H-indole-4-carboxamide (CID 63257895) is N-(2-aminocycloheptyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(2-aminocycloheptyl)-1H-indole-4-carboxamide is NC1CCCCCC1NC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-(2-aminocycloheptyl)-1H-indole-4-carboxamide?
The InChIKey is BGGQNIPUBUDUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-13-6-2-1-3-7-15(13)19-16(20)12-5-4-8-14-11(12)9-10-18-14/h4-5,8-10,13,15,18H,1-3,6-7,17H2,(H,19,20).
What are the key properties of N-(2-aminocycloheptyl)-1H-indole-4-carboxamide?
N-(2-aminocycloheptyl)-1H-indole-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 63257895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).