N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide

C13H16FN3O — CID 110833635

IUPACN-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2cccc(F)c2c1C(=O)NCC(C)N
InChIInChI=1S/C13H16FN3O/c1-7(15)6-16-13(18)11-8(2)17-10-5-3-4-9(14)12(10)11/h3-5,7,17H,6,15H2,1-2H3,(H,16,18)
InChIKeyLRHWVBURFLZXRM-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.69
Rot. Bonds3

About N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide

N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide (PubChem CID 110833635) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
PubChem CID110833635
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2cccc(F)c2c1C(=O)NCC(C)N
InChIInChI=1S/C13H16FN3O/c1-7(15)6-16-13(18)11-8(2)17-10-5-3-4-9(14)12(10)11/h3-5,7,17H,6,15H2,1-2H3,(H,16,18)
InChIKeyLRHWVBURFLZXRM-UHFFFAOYSA-N
XLogP1.69
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
CID 121220626
N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide
CID 110833712
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110851693
4-fluoro-N-(2-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859828
N-(2-aminopropyl)-1H-pyrrole-2-carboxamide
CID 63732088
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110863302
N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110863160
1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 110850307
3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960
4-chloro-2-methyl-N-prop-2-enyl-1H-indole-3-carboxamide
CID 110848103

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide (CID 110833635) is N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2cccc(F)c2c1C(=O)NCC(C)N.
What is the InChIKey of N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide?
The InChIKey is LRHWVBURFLZXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-7(15)6-16-13(18)11-8(2)17-10-5-3-4-9(14)12(10)11/h3-5,7,17H,6,15H2,1-2H3,(H,16,18).
What are the key properties of N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide?
N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide has a molecular weight of 249.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110833635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).