2,7-dimethyl-N-propyl-1H-indole-3-carboxamide

C14H18N2O — CID 65335219

IUPAC2,7-dimethyl-N-propyl-1H-indole-3-carboxamide
SMILESCCCNC(=O)c1c(C)[nH]c2c(C)cccc12
InChIInChI=1S/C14H18N2O/c1-4-8-15-14(17)12-10(3)16-13-9(2)6-5-7-11(12)13/h5-7,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyLKUPOLDWRXVITQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.92
Rot. Bonds3

About 2,7-dimethyl-N-propyl-1H-indole-3-carboxamide

2,7-dimethyl-N-propyl-1H-indole-3-carboxamide (PubChem CID 65335219) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,7-dimethyl-N-propyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-propyl-1H-indole-3-carboxamide
PubChem CID65335219
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2,7-dimethyl-N-propyl-1H-indole-3-carboxamide
SMILESCCCNC(=O)c1c(C)[nH]c2c(C)cccc12
InChIInChI=1S/C14H18N2O/c1-4-8-15-14(17)12-10(3)16-13-9(2)6-5-7-11(12)13/h5-7,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyLKUPOLDWRXVITQ-UHFFFAOYSA-N
XLogP2.92
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide
CID 65335287
N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide
CID 110855138
2,5-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335283
2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid
CID 110835945
7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 110851268
N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335557
7-fluoro-2-methyl-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
CID 110851915
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 110852178
N-ethyl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016604
(E)-3-(2,7-dimethyl-1H-indol-3-yl)-4-methylpent-2-enoic acid
CID 82279157
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide
CID 44624445
3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 44624444

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-propyl-1H-indole-3-carboxamide?
The IUPAC name of 2,7-dimethyl-N-propyl-1H-indole-3-carboxamide (CID 65335219) is 2,7-dimethyl-N-propyl-1H-indole-3-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-propyl-1H-indole-3-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-propyl-1H-indole-3-carboxamide is CCCNC(=O)c1c(C)[nH]c2c(C)cccc12.
What is the InChIKey of 2,7-dimethyl-N-propyl-1H-indole-3-carboxamide?
The InChIKey is LKUPOLDWRXVITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-8-15-14(17)12-10(3)16-13-9(2)6-5-7-11(12)13/h5-7,16H,4,8H2,1-3H3,(H,15,17).
What are the key properties of 2,7-dimethyl-N-propyl-1H-indole-3-carboxamide?
2,7-dimethyl-N-propyl-1H-indole-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-propyl-1H-indole-3-carboxamide is sourced from PubChem (CID 65335219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).