7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

C18H22N4O3 — CID 49195308

IUPAC7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)NCc1nnc3n1CCCC3)C2
InChIInChI=1S/C18H22N4O3/c1-24-14-6-5-12-8-13(11-25-15(12)9-14)18(23)19-10-17-21-20-16-4-2-3-7-22(16)17/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,19,23)
InChIKeyRRLDODRBAHDOME-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.49
Rot. Bonds4

About 7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 49195308) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID49195308
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)NCc1nnc3n1CCCC3)C2
InChIInChI=1S/C18H22N4O3/c1-24-14-6-5-12-8-13(11-25-15(12)9-14)18(23)19-10-17-21-20-16-4-2-3-7-22(16)17/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,19,23)
InChIKeyRRLDODRBAHDOME-UHFFFAOYSA-N
XLogP1.49
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72931988
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
(3S)-7-methoxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95175196
(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97123548
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
(3S)-7-methoxy-N-[(1-methylindazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99783459
(4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97277177
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72882003
(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
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823597
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823599
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 87045977

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 49195308) is 7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OCC(C(=O)NCc1nnc3n1CCCC3)C2.
What is the InChIKey of 7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is RRLDODRBAHDOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-14-6-5-12-8-13(11-25-15(12)9-14)18(23)19-10-17-21-20-16-4-2-3-7-22(16)17/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,19,23).
What are the key properties of 7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 49195308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).