8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H24N4O3 — CID 56722166

IUPAC8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NC1CCC(n3cnnc3)CC1)C2
InChIInChI=1S/C19H24N4O3/c1-25-17-4-2-3-13-9-14(10-26-18(13)17)19(24)22-15-5-7-16(8-6-15)23-11-20-21-12-23/h2-4,11-12,14-16H,5-10H2,1H3,(H,22,24)
InChIKeyBLWSRJJZSCJPBG-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.14
Rot. Bonds4

About 8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide

8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 56722166) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID56722166
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NC1CCC(n3cnnc3)CC1)C2
InChIInChI=1S/C19H24N4O3/c1-25-17-4-2-3-13-9-14(10-26-18(13)17)19(24)22-15-5-7-16(8-6-15)23-11-20-21-12-23/h2-4,11-12,14-16H,5-10H2,1H3,(H,22,24)
InChIKeyBLWSRJJZSCJPBG-UHFFFAOYSA-N
XLogP2.14
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-methyl-1-oxo-1-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 168297861
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45809852
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51099805
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 53498532
6-methoxy-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-3-chromanecarboxamide
CID 70730948
N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-6-methoxy-3-chromanecarboxamide
CID 70780821
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72143135
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(1H-tetrazol-1-yl)propanamide
CID 72874132
8-methoxy-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]chromane-3-carboxamide
CID 72927823
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]chromane-3-carboxamide
CID 72938563
N-[(2R)-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 168279251
N-[(2S)-3-methyl-1-oxo-1-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]pentan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 168287003

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 56722166) is 8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)NC1CCC(n3cnnc3)CC1)C2.
What is the InChIKey of 8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is BLWSRJJZSCJPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-25-17-4-2-3-13-9-14(10-26-18(13)17)19(24)22-15-5-7-16(8-6-15)23-11-20-21-12-23/h2-4,11-12,14-16H,5-10H2,1H3,(H,22,24).
What are the key properties of 8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide?
8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 56722166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).