N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide

C12H14N2O2 — CID 83030773

IUPACN-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
SMILESC[C@H](O)CNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C12H14N2O2/c1-8(15)7-14-12(16)10-4-2-3-9-5-6-13-11(9)10/h2-6,8,13,15H,7H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyLGCYQTNXPRSGSY-QMMMGPOBSA-N
MW218.26 g/mol
LogP1.28
Rot. Bonds3

About N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide

N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide (PubChem CID 83030773) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
PubChem CID83030773
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
SMILESC[C@H](O)CNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C12H14N2O2/c1-8(15)7-14-12(16)10-4-2-3-9-5-6-13-11(9)10/h2-6,8,13,15H,7H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyLGCYQTNXPRSGSY-QMMMGPOBSA-N
XLogP1.28
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyrrolidin-1-ylpropyl)-1H-indole-7-carboxamide
CID 79035908
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide
CID 111477059
3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
CID 81066304
N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide
CID 111483563
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006652
2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006316
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide
CID 103709293
N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 130678662
N-(2-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 110886952
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide
CID 97228097

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide (CID 83030773) is N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide is C[C@H](O)CNC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide?
The InChIKey is LGCYQTNXPRSGSY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(15)7-14-12(16)10-4-2-3-9-5-6-13-11(9)10/h2-6,8,13,15H,7H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide?
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 83030773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).