4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C19H22N4O2 — CID 167884977

IUPAC4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccnnc1NC(=O)N1CC=C(c2cccc(C)c2C)CC1
InChIInChI=1S/C19H22N4O2/c1-13-5-4-6-16(14(13)2)15-8-11-23(12-9-15)19(24)21-18-17(25-3)7-10-20-22-18/h4-8,10H,9,11-12H2,1-3H3,(H,21,22,24)
InChIKeyMAVVBVCHVDBCOE-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.42
Rot. Bonds3

About 4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 167884977) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID167884977
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccnnc1NC(=O)N1CC=C(c2cccc(C)c2C)CC1
InChIInChI=1S/C19H22N4O2/c1-13-5-4-6-16(14(13)2)15-8-11-23(12-9-15)19(24)21-18-17(25-3)7-10-20-22-18/h4-8,10H,9,11-12H2,1-3H3,(H,21,22,24)
InChIKeyMAVVBVCHVDBCOE-UHFFFAOYSA-N
XLogP3.42
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 167884977) is 4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccnnc1NC(=O)N1CC=C(c2cccc(C)c2C)CC1.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is MAVVBVCHVDBCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-5-4-6-16(14(13)2)15-8-11-23(12-9-15)19(24)21-18-17(25-3)7-10-20-22-18/h4-8,10H,9,11-12H2,1-3H3,(H,21,22,24).
What are the key properties of 4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 167884977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).