4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide

C21H19N3O3S — CID 46942837

IUPAC4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC1(C(=O)NCc2cccs2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1
InChIInChI=1S/C21H19N3O3S/c1-21(20(26)24-12-15-3-2-10-28-15)11-17-16(8-9-23-19(17)27-21)13-4-6-14(7-5-13)18(22)25/h2-10H,11-12H2,1H3,(H2,22,25)(H,24,26)
InChIKeyMYKYVRLEXMPWHN-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.92
Rot. Bonds5

About 4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide

4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide (PubChem CID 46942837) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide
PubChem CID46942837
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC1(C(=O)NCc2cccs2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1
InChIInChI=1S/C21H19N3O3S/c1-21(20(26)24-12-15-3-2-10-28-15)11-17-16(8-9-23-19(17)27-21)13-4-6-14(7-5-13)18(22)25/h2-10H,11-12H2,1H3,(H2,22,25)(H,24,26)
InChIKeyMYKYVRLEXMPWHN-UHFFFAOYSA-N
XLogP2.92
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide (CID 46942837) is 4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide is CC1(C(=O)NCc2cccs2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1.
What is the InChIKey of 4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is MYKYVRLEXMPWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-21(20(26)24-12-15-3-2-10-28-15)11-17-16(8-9-23-19(17)27-21)13-4-6-14(7-5-13)18(22)25/h2-10H,11-12H2,1H3,(H2,22,25)(H,24,26).
What are the key properties of 4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide?
4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylphenyl)-2-methyl-N-(thiophen-2-ylmethyl)-3H-furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46942837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).