N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide

C13H16ClN3O — CID 110833712

IUPACN-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2cc(Cl)ccc2c1C(=O)NCC(C)N
InChIInChI=1S/C13H16ClN3O/c1-7(15)6-16-13(18)12-8(2)17-11-5-9(14)3-4-10(11)12/h3-5,7,17H,6,15H2,1-2H3,(H,16,18)
InChIKeyDOFCUBGMSONGJH-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.21
Rot. Bonds3

About N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide

N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide (PubChem CID 110833712) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide
PubChem CID110833712
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2cc(Cl)ccc2c1C(=O)NCC(C)N
InChIInChI=1S/C13H16ClN3O/c1-7(15)6-16-13(18)12-8(2)17-11-5-9(14)3-4-10(11)12/h3-5,7,17H,6,15H2,1-2H3,(H,16,18)
InChIKeyDOFCUBGMSONGJH-UHFFFAOYSA-N
XLogP2.21
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide
CID 110847987
N-(2-aminopropyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110833635
1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone
CID 82501190
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide
CID 60553433
(6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 98034370
3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 63732311
(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 110849920
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
N-(2-aminopropyl)-2-chloro-4-methylbenzamide
CID 106862152
N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110848225

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide (CID 110833712) is N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2cc(Cl)ccc2c1C(=O)NCC(C)N.
What is the InChIKey of N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide?
The InChIKey is DOFCUBGMSONGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-7(15)6-16-13(18)12-8(2)17-11-5-9(14)3-4-10(11)12/h3-5,7,17H,6,15H2,1-2H3,(H,16,18).
What are the key properties of N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide?
N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide has a molecular weight of 265.74 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110833712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).