1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide

C19H20N4O2 — CID 75424630

IUPAC1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2cc(CCc3ccccc3)ccn2)CCC1=O
InChIInChI=1S/C19H20N4O2/c1-23-18(24)10-9-16(22-23)19(25)21-17-13-15(11-12-20-17)8-7-14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,20,21,25)
InChIKeyJJDQSJNQRBALJP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.41
Rot. Bonds5

About 1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 75424630) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID75424630
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2cc(CCc3ccccc3)ccn2)CCC1=O
InChIInChI=1S/C19H20N4O2/c1-23-18(24)10-9-16(22-23)19(25)21-17-13-15(11-12-20-17)8-7-14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,20,21,25)
InChIKeyJJDQSJNQRBALJP-UHFFFAOYSA-N
XLogP2.41
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide (CID 75424630) is 1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2cc(CCc3ccccc3)ccn2)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is JJDQSJNQRBALJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-23-18(24)10-9-16(22-23)19(25)21-17-13-15(11-12-20-17)8-7-14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,20,21,25).
What are the key properties of 1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[4-(2-phenylethyl)-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 75424630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).