N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide

C21H27N3O4 — CID 156586986

IUPACN-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide
SMILESO=C(N[C@H]1C[C@H](C(=O)NCC2CCOCC2)C[C@@H]1O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C21H27N3O4/c25-19-11-16(20(26)23-12-13-4-7-28-8-5-13)10-18(19)24-21(27)15-1-2-17-14(9-15)3-6-22-17/h1-3,6,9,13,16,18-19,22,25H,4-5,7-8,10-12H2,(H,23,26)(H,24,27)/t16-,18-,19-/m0/s1
InChIKeyLMXLHIQVANJNEM-WDSOQIARSA-N
MW385.46 g/mol
LogP1.58
Rot. Bonds5

About N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide

N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide (PubChem CID 156586986) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide
PubChem CID156586986
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide
SMILESO=C(N[C@H]1C[C@H](C(=O)NCC2CCOCC2)C[C@@H]1O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C21H27N3O4/c25-19-11-16(20(26)23-12-13-4-7-28-8-5-13)10-18(19)24-21(27)15-1-2-17-14(9-15)3-6-22-17/h1-3,6,9,13,16,18-19,22,25H,4-5,7-8,10-12H2,(H,23,26)(H,24,27)/t16-,18-,19-/m0/s1
InChIKeyLMXLHIQVANJNEM-WDSOQIARSA-N
XLogP1.58
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide (CID 156586986) is N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide is O=C(N[C@H]1C[C@H](C(=O)NCC2CCOCC2)C[C@@H]1O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide?
The InChIKey is LMXLHIQVANJNEM-WDSOQIARSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-19-11-16(20(26)23-12-13-4-7-28-8-5-13)10-18(19)24-21(27)15-1-2-17-14(9-15)3-6-22-17/h1-3,6,9,13,16,18-19,22,25H,4-5,7-8,10-12H2,(H,23,26)(H,24,27)/t16-,18-,19-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide?
N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 1.58, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 156586986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).