N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

C19H22N2O4S — CID 126802462

IUPACN-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(OC2CCOC2)c1)C1OCCc2sccc21
InChIInChI=1S/C19H22N2O4S/c1-12(18-15-5-9-26-16(15)4-8-24-18)21-19(22)13-2-6-20-17(10-13)25-14-3-7-23-11-14/h2,5-6,9-10,12,14,18H,3-4,7-8,11H2,1H3,(H,21,22)
InChIKeyFQRODOBQJGESPI-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.74
Rot. Bonds5

About N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide (PubChem CID 126802462) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
PubChem CID126802462
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(OC2CCOC2)c1)C1OCCc2sccc21
InChIInChI=1S/C19H22N2O4S/c1-12(18-15-5-9-26-16(15)4-8-24-18)21-19(22)13-2-6-20-17(10-13)25-14-3-7-23-11-14/h2,5-6,9-10,12,14,18H,3-4,7-8,11H2,1H3,(H,21,22)
InChIKeyFQRODOBQJGESPI-UHFFFAOYSA-N
XLogP2.74
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide with MolForge

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Related Compounds

(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75504546
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
(2S)-4-methyl-2-[[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120695356
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120533755
N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 127842915
N-(2,6-difluorophenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815300
N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 166214316

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The IUPAC name of N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide (CID 126802462) is N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide is CC(NC(=O)c1ccnc(OC2CCOC2)c1)C1OCCc2sccc21.
What is the InChIKey of N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The InChIKey is FQRODOBQJGESPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12(18-15-5-9-26-16(15)4-8-24-18)21-19(22)13-2-6-20-17(10-13)25-14-3-7-23-11-14/h2,5-6,9-10,12,14,18H,3-4,7-8,11H2,1H3,(H,21,22).
What are the key properties of N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide is sourced from PubChem (CID 126802462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).