4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide

C20H14N2O3S — CID 91630333

IUPAC4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide
SMILESO=C(NCc1ccnc(-c2cccs2)c1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H14N2O3S/c23-16-11-18(25-17-5-2-1-4-14(16)17)20(24)22-12-13-7-8-21-15(10-13)19-6-3-9-26-19/h1-11H,12H2,(H,22,24)
InChIKeyBGYOKQJBELSWNS-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.85
Rot. Bonds4

About 4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide

4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide (PubChem CID 91630333) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide
PubChem CID91630333
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide
SMILESO=C(NCc1ccnc(-c2cccs2)c1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H14N2O3S/c23-16-11-18(25-17-5-2-1-4-14(16)17)20(24)22-12-13-7-8-21-15(10-13)19-6-3-9-26-19/h1-11H,12H2,(H,22,24)
InChIKeyBGYOKQJBELSWNS-UHFFFAOYSA-N
XLogP3.85
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide
CID 119106291
N-[(2-thiophen-2-yl-4-pyridinyl)methyl]furan-2-carboxamide
CID 91630312
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide
CID 71795410
2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
CID 91630326
1-benzhydryl-3-[(2-thiophen-2-yl-4-pyridinyl)methyl]urea
CID 91630384
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide
CID 122353411
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide
CID 121195822
N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 90612940
(2R)-1-(1,3-benzoxazol-2-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 124759800
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119711

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide (CID 91630333) is 4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide is O=C(NCc1ccnc(-c2cccs2)c1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide?
The InChIKey is BGYOKQJBELSWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-16-11-18(25-17-5-2-1-4-14(16)17)20(24)22-12-13-7-8-21-15(10-13)19-6-3-9-26-19/h1-11H,12H2,(H,22,24).
What are the key properties of 4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide?
4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide is sourced from PubChem (CID 91630333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).