N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide

C14H13N3O2 — CID 131901784

IUPACN-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide
SMILESCC1Cc2cc(NC(=O)c3ccnnc3)ccc2O1
InChIInChI=1S/C14H13N3O2/c1-9-6-11-7-12(2-3-13(11)19-9)17-14(18)10-4-5-15-16-8-10/h2-5,7-9H,6H2,1H3,(H,17,18)
InChIKeyGENNHKKWQZZCKG-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.05
Rot. Bonds2

About N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide

N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide (PubChem CID 131901784) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide
PubChem CID131901784
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide
SMILESCC1Cc2cc(NC(=O)c3ccnnc3)ccc2O1
InChIInChI=1S/C14H13N3O2/c1-9-6-11-7-12(2-3-13(11)19-9)17-14(18)10-4-5-15-16-8-10/h2-5,7-9H,6H2,1H3,(H,17,18)
InChIKeyGENNHKKWQZZCKG-UHFFFAOYSA-N
XLogP2.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782602
(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 27210785
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 131903838
N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782559
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide
CID 131924029
N-(3,4-dicyanophenyl)pyridazine-4-carboxamide
CID 103944391
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]acetamide
CID 164641742
N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide
CID 97445054
N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide
CID 155954661
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
CID 97271212
N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
CID 106491133

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide (CID 131901784) is N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide is CC1Cc2cc(NC(=O)c3ccnnc3)ccc2O1.
What is the InChIKey of N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide?
The InChIKey is GENNHKKWQZZCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-6-11-7-12(2-3-13(11)19-9)17-14(18)10-4-5-15-16-8-10/h2-5,7-9H,6H2,1H3,(H,17,18).
What are the key properties of N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide?
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 131901784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).