N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide

C20H18N4O3 — CID 167958842

IUPACN-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)n(C)nc1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C20H18N4O3/c1-12-10-18(25)24(2)23-19(12)20(26)22-17-5-3-4-15(21-17)13-6-7-16-14(11-13)8-9-27-16/h3-7,10-11H,8-9H2,1-2H3,(H,21,22,26)
InChIKeyQBCJSITVJJJMPI-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.34
Rot. Bonds3

About N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide

N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide (PubChem CID 167958842) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide
PubChem CID167958842
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)n(C)nc1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C20H18N4O3/c1-12-10-18(25)24(2)23-19(12)20(26)22-17-5-3-4-15(21-17)13-6-7-16-14(11-13)8-9-27-16/h3-7,10-11H,8-9H2,1-2H3,(H,21,22,26)
InChIKeyQBCJSITVJJJMPI-UHFFFAOYSA-N
XLogP2.34
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 120704421
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
CID 119881833
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 35847681
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120800256
(2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120941445
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120646550
(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3,3-dimethylbutanamide
CID 119881910
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide
CID 167960960
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119881915
(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide
CID 119881938
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46412653
1-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 71720843

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide (CID 167958842) is N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide is Cc1cc(=O)n(C)nc1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is QBCJSITVJJJMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-10-18(25)24(2)23-19(12)20(26)22-17-5-3-4-15(21-17)13-6-7-16-14(11-13)8-9-27-16/h3-7,10-11H,8-9H2,1-2H3,(H,21,22,26).
What are the key properties of N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide?
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 167958842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).