2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide

C22H21N3O4S — CID 167800266

IUPAC2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide
SMILESCC1(CNC(=O)c2cccnc2Oc2ccccc2C(N)=O)OCCc2sccc21
InChIInChI=1S/C22H21N3O4S/c1-22(16-9-12-30-18(16)8-11-28-22)13-25-20(27)15-6-4-10-24-21(15)29-17-7-3-2-5-14(17)19(23)26/h2-7,9-10,12H,8,11,13H2,1H3,(H2,23,26)(H,25,27)
InChIKeyGOSYTXXXOJIXAR-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.25
Rot. Bonds6

About 2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide

2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 167800266) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide
PubChem CID167800266
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide
SMILESCC1(CNC(=O)c2cccnc2Oc2ccccc2C(N)=O)OCCc2sccc21
InChIInChI=1S/C22H21N3O4S/c1-22(16-9-12-30-18(16)8-11-28-22)13-25-20(27)15-6-4-10-24-21(15)29-17-7-3-2-5-14(17)19(23)26/h2-7,9-10,12H,8,11,13H2,1H3,(H2,23,26)(H,25,27)
InChIKeyGOSYTXXXOJIXAR-UHFFFAOYSA-N
XLogP3.25
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 113337975
(3S,4S)-1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122014803
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide
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N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113313670
2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943676
N-[(4-hydroxythian-4-yl)methyl]-2-methylpyridine-3-carboxamide
CID 111484670
2-[[3-(1,3-oxazol-5-yl)-2-pyridinyl]oxy]benzamide
CID 69226717
N-(2-amino-2-methylpropyl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 119627181
2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 103742502
2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide
CID 71803258
2-[(3-carbamoyl-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395782

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide (CID 167800266) is 2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide is CC1(CNC(=O)c2cccnc2Oc2ccccc2C(N)=O)OCCc2sccc21.
What is the InChIKey of 2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is GOSYTXXXOJIXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-22(16-9-12-30-18(16)8-11-28-22)13-25-20(27)15-6-4-10-24-21(15)29-17-7-3-2-5-14(17)19(23)26/h2-7,9-10,12H,8,11,13H2,1H3,(H2,23,26)(H,25,27).
What are the key properties of 2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide?
2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoylphenoxy)-N-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 167800266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).