N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide

C13H16ClN3O — CID 110833586

IUPACN-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
SMILESCC(CN)NC(=O)c1cc2ccc(Cl)cc2n1C
InChIInChI=1S/C13H16ClN3O/c1-8(7-15)16-13(18)12-5-9-3-4-10(14)6-11(9)17(12)2/h3-6,8H,7,15H2,1-2H3,(H,16,18)
InChIKeyOWTZSZRDLNVNHN-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.91
Rot. Bonds3

About N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide

N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide (PubChem CID 110833586) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
PubChem CID110833586
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
SMILESCC(CN)NC(=O)c1cc2ccc(Cl)cc2n1C
InChIInChI=1S/C13H16ClN3O/c1-8(7-15)16-13(18)12-5-9-3-4-10(14)6-11(9)17(12)2/h3-6,8H,7,15H2,1-2H3,(H,16,18)
InChIKeyOWTZSZRDLNVNHN-UHFFFAOYSA-N
XLogP1.91
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437
6-chloro-N-[(1S)-1-[4-(cyanomethyl)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177140014
6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177140120
N-[1-(6-aminosulfanyl-5-chloro-3-pyridinyl)ethyl]-6-chloro-1-methylindole-2-carboxamide;ethane
CID 177140289
N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide
CID 177140237
6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide
CID 177140163
6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide
CID 177140331
6-chloro-N-[1-(2-cyclopropylpyrimidin-5-yl)ethyl]-1-methylindole-2-carboxamide
CID 177140177
2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]acetic acid
CID 7070087
6-chloro-N-[1-(3-cyano-4-sulfinamoylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177139968

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide (CID 110833586) is N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide is CC(CN)NC(=O)c1cc2ccc(Cl)cc2n1C.
What is the InChIKey of N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide?
The InChIKey is OWTZSZRDLNVNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8(7-15)16-13(18)12-5-9-3-4-10(14)6-11(9)17(12)2/h3-6,8H,7,15H2,1-2H3,(H,16,18).
What are the key properties of N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide?
N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide has a molecular weight of 265.74 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide is sourced from PubChem (CID 110833586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).