6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H22N4O3 — CID 70730948

IUPAC6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCCn1cnnc1CNC(=O)C1COc2ccc(OC)cc2C1
InChIInChI=1S/C17H22N4O3/c1-3-6-21-11-19-20-16(21)9-18-17(22)13-7-12-8-14(23-2)4-5-15(12)24-10-13/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3,(H,18,22)
InChIKeyJQVKSVIVRUZNNW-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.56
Rot. Bonds6

About 6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 70730948) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID70730948
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCCn1cnnc1CNC(=O)C1COc2ccc(OC)cc2C1
InChIInChI=1S/C17H22N4O3/c1-3-6-21-11-19-20-16(21)9-18-17(22)13-7-12-8-14(23-2)4-5-15(12)24-10-13/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3,(H,18,22)
InChIKeyJQVKSVIVRUZNNW-UHFFFAOYSA-N
XLogP1.56
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 70730948) is 6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is CCCn1cnnc1CNC(=O)C1COc2ccc(OC)cc2C1.
What is the InChIKey of 6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is JQVKSVIVRUZNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-6-21-11-19-20-16(21)9-18-17(22)13-7-12-8-14(23-2)4-5-15(12)24-10-13/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3,(H,18,22).
What are the key properties of 6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 70730948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).