N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide

C16H20N2O4 — CID 97040108

IUPACN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@@H]3C[C@H](CO)[C@H](O)C3)[nH]c2c1
InChIInChI=1S/C16H20N2O4/c1-22-12-3-2-9-5-14(18-13(9)7-12)16(21)17-11-4-10(8-19)15(20)6-11/h2-3,5,7,10-11,15,18-20H,4,6,8H2,1H3,(H,17,21)/t10-,11-,15-/m1/s1
InChIKeyXICDKRNFKQVDSP-UEKVPHQBSA-N
MW304.35 g/mol
LogP1.04
Rot. Bonds4

About N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide

N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 97040108) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID97040108
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@@H]3C[C@H](CO)[C@H](O)C3)[nH]c2c1
InChIInChI=1S/C16H20N2O4/c1-22-12-3-2-9-5-14(18-13(9)7-12)16(21)17-11-4-10(8-19)15(20)6-11/h2-3,5,7,10-11,15,18-20H,4,6,8H2,1H3,(H,17,21)/t10-,11-,15-/m1/s1
InChIKeyXICDKRNFKQVDSP-UEKVPHQBSA-N
XLogP1.04
TPSA94.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 97040111
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 71785787
N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide
CID 124875145
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-6-methoxy-1H-indole-2-carboxamide
CID 139008147
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide
CID 98783683
N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide
CID 166269622
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide
CID 125431301
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide (CID 97040108) is N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N[C@@H]3C[C@H](CO)[C@H](O)C3)[nH]c2c1.
What is the InChIKey of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is XICDKRNFKQVDSP-UEKVPHQBSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-22-12-3-2-9-5-14(18-13(9)7-12)16(21)17-11-4-10(8-19)15(20)6-11/h2-3,5,7,10-11,15,18-20H,4,6,8H2,1H3,(H,17,21)/t10-,11-,15-/m1/s1.
What are the key properties of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide?
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 97040108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).