(3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C18H18N4O3 — CID 95287326

IUPAC(3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)C[C@H](C(=O)Nc1nnc3ccccn13)CO2
InChIInChI=1S/C18H18N4O3/c1-2-24-14-6-7-15-12(10-14)9-13(11-25-15)17(23)19-18-21-20-16-5-3-4-8-22(16)18/h3-8,10,13H,2,9,11H2,1H3,(H,19,21,23)/t13-/m0/s1
InChIKeyOZTLWXHPKDJZCM-ZDUSSCGKSA-N
MW338.37 g/mol
LogP2.32
Rot. Bonds4

About (3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95287326) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95287326
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)C[C@H](C(=O)Nc1nnc3ccccn13)CO2
InChIInChI=1S/C18H18N4O3/c1-2-24-14-6-7-15-12(10-14)9-13(11-25-15)17(23)19-18-21-20-16-5-3-4-8-22(16)18/h3-8,10,13H,2,9,11H2,1H3,(H,19,21,23)/t13-/m0/s1
InChIKeyOZTLWXHPKDJZCM-ZDUSSCGKSA-N
XLogP2.32
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896297
(3R)-6-ethoxy-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95760026
6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 120831058
6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86962053
2-[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]acetic acid
CID 119172257
(3S)-7-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97152619
N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896269
N-(4-ethoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200833
6-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86897008
(3-methylphenyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86896181
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 38962367

Frequently Asked Questions

What is the IUPAC name of (3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 95287326) is (3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide is CCOc1ccc2c(c1)C[C@H](C(=O)Nc1nnc3ccccn13)CO2.
What is the InChIKey of (3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is OZTLWXHPKDJZCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-24-14-6-7-15-12(10-14)9-13(11-25-15)17(23)19-18-21-20-16-5-3-4-8-22(16)18/h3-8,10,13H,2,9,11H2,1H3,(H,19,21,23)/t13-/m0/s1.
What are the key properties of (3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95287326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).