N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide

C14H15N3O — CID 95297875

IUPACN-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N[C@@H](C)CC#N)[nH]c2c1
InChIInChI=1S/C14H15N3O/c1-9-3-4-11-8-13(17-12(11)7-9)14(18)16-10(2)5-6-15/h3-4,7-8,10,17H,5H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyQPAKGBZUJAGVKA-JTQLQIEISA-N
MW241.29 g/mol
LogP2.51
Rot. Bonds3

About N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide

N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 95297875) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide
PubChem CID95297875
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N[C@@H](C)CC#N)[nH]c2c1
InChIInChI=1S/C14H15N3O/c1-9-3-4-11-8-13(17-12(11)7-9)14(18)16-10(2)5-6-15/h3-4,7-8,10,17H,5H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyQPAKGBZUJAGVKA-JTQLQIEISA-N
XLogP2.51
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide
CID 111484272
6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002788
6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
CID 55555964
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
3-(3-bromophenyl)-3-[(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 119192479
(3R)-3-(3-bromophenyl)-3-[(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 124699211

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide (CID 95297875) is N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)N[C@@H](C)CC#N)[nH]c2c1.
What is the InChIKey of N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is QPAKGBZUJAGVKA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-3-4-11-8-13(17-12(11)7-9)14(18)16-10(2)5-6-15/h3-4,7-8,10,17H,5H2,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide?
N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 95297875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).