N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide

C14H13N3O3 — CID 37298431

IUPACN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC[C@@H]1Cc2ccccc2O1)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H13N3O3/c18-13-6-5-11(16-17-13)14(19)15-8-10-7-9-3-1-2-4-12(9)20-10/h1-6,10H,7-8H2,(H,15,19)(H,17,18)/t10-/m0/s1
InChIKeyWZJDXFCPDFKOGH-JTQLQIEISA-N
MW271.28 g/mol
LogP0.50
Rot. Bonds3

About N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 37298431) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID37298431
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC[C@@H]1Cc2ccccc2O1)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H13N3O3/c18-13-6-5-11(16-17-13)14(19)15-8-10-7-9-3-1-2-4-12(9)20-10/h1-6,10H,7-8H2,(H,15,19)(H,17,18)/t10-/m0/s1
InChIKeyWZJDXFCPDFKOGH-JTQLQIEISA-N
XLogP0.50
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
CID 63719130
4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
CID 62232678
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375386
4-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 51891597
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 38305931
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51078208
(2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95132254
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37294905

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 37298431) is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC[C@@H]1Cc2ccccc2O1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is WZJDXFCPDFKOGH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13-6-5-11(16-17-13)14(19)15-8-10-7-9-3-1-2-4-12(9)20-10/h1-6,10H,7-8H2,(H,15,19)(H,17,18)/t10-/m0/s1.
What are the key properties of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 37298431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).