1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide

C18H24N4O2 — CID 24550666

IUPAC1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCc2ccc(CN3CCCC3)cc2)CCC1=O
InChIInChI=1S/C18H24N4O2/c1-21-17(23)9-8-16(20-21)18(24)19-12-14-4-6-15(7-5-14)13-22-10-2-3-11-22/h4-7H,2-3,8-13H2,1H3,(H,19,24)
InChIKeyNRDSPONATGAUKJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.51
Rot. Bonds5

About 1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24550666) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID24550666
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCc2ccc(CN3CCCC3)cc2)CCC1=O
InChIInChI=1S/C18H24N4O2/c1-21-17(23)9-8-16(20-21)18(24)19-12-14-4-6-15(7-5-14)13-22-10-2-3-11-22/h4-7H,2-3,8-13H2,1H3,(H,19,24)
InChIKeyNRDSPONATGAUKJ-UHFFFAOYSA-N
XLogP1.51
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.51
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-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide (CID 24550666) is 1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCc2ccc(CN3CCCC3)cc2)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NRDSPONATGAUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-17(23)9-8-16(20-21)18(24)19-12-14-4-6-15(7-5-14)13-22-10-2-3-11-22/h4-7H,2-3,8-13H2,1H3,(H,19,24).
What are the key properties of 1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.51, 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-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24550666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).