1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide

C14H16N2O3 — CID 140797945

IUPAC1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide
SMILESNC(=O)c1cn([C@H]2CCOC[C@@H]2O)c2ccccc12
InChIInChI=1S/C14H16N2O3/c15-14(18)10-7-16(11-4-2-1-3-9(10)11)12-5-6-19-8-13(12)17/h1-4,7,12-13,17H,5-6,8H2,(H2,15,18)/t12-,13-/m0/s1
InChIKeyYHCSYPCOJOQVMA-STQMWFEESA-N
MW260.29 g/mol
LogP1.06
Rot. Bonds2

About 1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide

1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide (PubChem CID 140797945) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide
PubChem CID140797945
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide
SMILESNC(=O)c1cn([C@H]2CCOC[C@@H]2O)c2ccccc12
InChIInChI=1S/C14H16N2O3/c15-14(18)10-7-16(11-4-2-1-3-9(10)11)12-5-6-19-8-13(12)17/h1-4,7,12-13,17H,5-6,8H2,(H2,15,18)/t12-,13-/m0/s1
InChIKeyYHCSYPCOJOQVMA-STQMWFEESA-N
XLogP1.06
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
CID 67859526
[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11529923
methyl 1-(oxolan-2-yl)indole-3-carboxylate
CID 122385558
1-(2-chlorooxetan-3-yl)-N-(2,2-difluoroethyl)indole-3-carboxamide
CID 141491467
1-(oxolan-3-yl)indole-7-carboxamide
CID 140662744
2-(oxolan-3-yloxy)benzamide
CID 68643948
1-(2-bromobenzoyl)indole-3-carboxamide
CID 91690367
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
6-bromo-3-[(3R,4S)-3-hydroxyoxan-4-yl]pyrido[3,2-h]quinazolin-4-one
CID 71042408
1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide
CID 136567884
N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 90951589
(4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone
CID 79597549

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide?
The IUPAC name of 1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide (CID 140797945) is 1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide.
What is the SMILES notation for 1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide?
The canonical SMILES for 1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide is NC(=O)c1cn([C@H]2CCOC[C@@H]2O)c2ccccc12.
What is the InChIKey of 1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide?
The InChIKey is YHCSYPCOJOQVMA-STQMWFEESA-N. The full InChI is InChI=1S/C14H16N2O3/c15-14(18)10-7-16(11-4-2-1-3-9(10)11)12-5-6-19-8-13(12)17/h1-4,7,12-13,17H,5-6,8H2,(H2,15,18)/t12-,13-/m0/s1.
What are the key properties of 1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide?
1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide is sourced from PubChem (CID 140797945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).