4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide

C17H20N2O3 — CID 167898298

IUPAC4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide
SMILESO=C(NC1C[C@@H](O)[C@@H](O)C1)c1cc2c(C3CC3)cccc2[nH]1
InChIInChI=1S/C17H20N2O3/c20-15-6-10(7-16(15)21)18-17(22)14-8-12-11(9-4-5-9)2-1-3-13(12)19-14/h1-3,8-10,15-16,19-21H,4-7H2,(H,18,22)/t10?,15-,16+
InChIKeyHIHMGIXNECHLQB-QEPHCTRTSA-N
MW300.36 g/mol
LogP1.66
Rot. Bonds3

About 4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide

4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide (PubChem CID 167898298) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide
PubChem CID167898298
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide
SMILESO=C(NC1C[C@@H](O)[C@@H](O)C1)c1cc2c(C3CC3)cccc2[nH]1
InChIInChI=1S/C17H20N2O3/c20-15-6-10(7-16(15)21)18-17(22)14-8-12-11(9-4-5-9)2-1-3-13(12)19-14/h1-3,8-10,15-16,19-21H,4-7H2,(H,18,22)/t10?,15-,16+
InChIKeyHIHMGIXNECHLQB-QEPHCTRTSA-N
XLogP1.66
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-N-(4-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 167748241
N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide
CID 167938853
4-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 166248461
4-fluoro-N-(4-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 134010426
4-methyl-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44555586
4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
CID 47151029
4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68710712
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
4-methyl-N-piperidin-3-yl-1H-indole-2-carboxamide
CID 68708484
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
CID 61237731
N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide
CID 166269622
N-cyclopentyl-4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-1H-indole-2-carboxamide
CID 146076601

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide (CID 167898298) is 4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide is O=C(NC1C[C@@H](O)[C@@H](O)C1)c1cc2c(C3CC3)cccc2[nH]1.
What is the InChIKey of 4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide?
The InChIKey is HIHMGIXNECHLQB-QEPHCTRTSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-15-6-10(7-16(15)21)18-17(22)14-8-12-11(9-4-5-9)2-1-3-13(12)19-14/h1-3,8-10,15-16,19-21H,4-7H2,(H,18,22)/t10?,15-,16+.
What are the key properties of 4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide?
4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 167898298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).