N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide

C16H20N2O4 — CID 166269622

IUPACN-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide
SMILESCOc1cc(C)c2cc(C(=O)NC3C[C@@H](O)[C@@H](O)C3)[nH]c2c1
InChIInChI=1S/C16H20N2O4/c1-8-3-10(22-2)6-12-11(8)7-13(18-12)16(21)17-9-4-14(19)15(20)5-9/h3,6-7,9,14-15,18-20H,4-5H2,1-2H3,(H,17,21)/t9?,14-,15+
InChIKeyIPGCMUZKZPKGFT-SUHXIUCRSA-N
MW304.35 g/mol
LogP1.10
Rot. Bonds3

About N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide

N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide (PubChem CID 166269622) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide
PubChem CID166269622
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide
SMILESCOc1cc(C)c2cc(C(=O)NC3C[C@@H](O)[C@@H](O)C3)[nH]c2c1
InChIInChI=1S/C16H20N2O4/c1-8-3-10(22-2)6-12-11(8)7-13(18-12)16(21)17-9-4-14(19)15(20)5-9/h3,6-7,9,14-15,18-20H,4-5H2,1-2H3,(H,17,21)/t9?,14-,15+
InChIKeyIPGCMUZKZPKGFT-SUHXIUCRSA-N
XLogP1.10
TPSA94.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide (CID 166269622) is N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide is COc1cc(C)c2cc(C(=O)NC3C[C@@H](O)[C@@H](O)C3)[nH]c2c1.
What is the InChIKey of N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide?
The InChIKey is IPGCMUZKZPKGFT-SUHXIUCRSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-8-3-10(22-2)6-12-11(8)7-13(18-12)16(21)17-9-4-14(19)15(20)5-9/h3,6-7,9,14-15,18-20H,4-5H2,1-2H3,(H,17,21)/t9?,14-,15+.
What are the key properties of N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide?
N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166269622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).