1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide

C19H24N4O2 — CID 94806275

IUPAC1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide
SMILESC[C@H]1CCCCN1Cc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-14-5-3-4-12-23(14)13-15-6-8-16(9-7-15)20-19(25)17-10-11-18(24)22(2)21-17/h6-11,14H,3-5,12-13H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyDMRLXTKVUMNXBE-AWEZNQCLSA-N
MW340.43 g/mol
LogP2.41
Rot. Bonds4

About 1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 94806275) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID94806275
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide
SMILESC[C@H]1CCCCN1Cc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-14-5-3-4-12-23(14)13-15-6-8-16(9-7-15)20-19(25)17-10-11-18(24)22(2)21-17/h6-11,14H,3-5,12-13H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyDMRLXTKVUMNXBE-AWEZNQCLSA-N
XLogP2.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55647641
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 55868469
2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946474
4-bromo-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562612
(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 98784893
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 119844945
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55869873
2-methyl-3-[4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 120540952
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55972021

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide (CID 94806275) is 1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide is C[C@H]1CCCCN1Cc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1.
What is the InChIKey of 1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is DMRLXTKVUMNXBE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-5-3-4-12-23(14)13-15-6-8-16(9-7-15)20-19(25)17-10-11-18(24)22(2)21-17/h6-11,14H,3-5,12-13H2,1-2H3,(H,20,25)/t14-/m0/s1.
What are the key properties of 1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 94806275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).