N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide

C15H18N2O4 — CID 91762188

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@@H]3CCOC[C@H]3O)cc2c1
InChIInChI=1S/C15H18N2O4/c1-20-10-2-3-11-9(6-10)7-13(16-11)15(19)17-12-4-5-21-8-14(12)18/h2-3,6-7,12,14,16,18H,4-5,8H2,1H3,(H,17,19)/t12-,14-/m1/s1
InChIKeyWCXBCNVRFUTJIU-TZMCWYRMSA-N
MW290.32 g/mol
LogP1.06
Rot. Bonds3

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 91762188) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID91762188
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@@H]3CCOC[C@H]3O)cc2c1
InChIInChI=1S/C15H18N2O4/c1-20-10-2-3-11-9(6-10)7-13(16-11)15(19)17-12-4-5-21-8-14(12)18/h2-3,6-7,12,14,16,18H,4-5,8H2,1H3,(H,17,19)/t12-,14-/m1/s1
InChIKeyWCXBCNVRFUTJIU-TZMCWYRMSA-N
XLogP1.06
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
CID 51496458
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide
CID 11782370
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
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
5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
CID 125432343
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
5-methoxy-N-[2-(4-methylmorpholin-2-yl)ethyl]-1H-indole-2-carboxamide
CID 56719368
5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(5-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
CID 118368155
5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 63118181
4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide
CID 91777707

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide (CID 91762188) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N[C@@H]3CCOC[C@H]3O)cc2c1.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is WCXBCNVRFUTJIU-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-10-2-3-11-9(6-10)7-13(16-11)15(19)17-12-4-5-21-8-14(12)18/h2-3,6-7,12,14,16,18H,4-5,8H2,1H3,(H,17,19)/t12-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 91762188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).