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

C22H30N4O2 — CID 42382294

IUPAC1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide
SMILESCC(C)Cc1ccc(CN2CCC[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)cc1
InChIInChI=1S/C22H30N4O2/c1-16(2)13-17-6-8-18(9-7-17)14-26-12-4-5-19(15-26)23-22(28)20-10-11-21(27)25(3)24-20/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,23,28)/t19-/m0/s1
InChIKeyFUYYUVHKBWXSBP-IBGZPJMESA-N
MW382.51 g/mol
LogP2.37
Rot. Bonds6

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

1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide (PubChem CID 42382294) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide
PubChem CID42382294
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide
SMILESCC(C)Cc1ccc(CN2CCC[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)cc1
InChIInChI=1S/C22H30N4O2/c1-16(2)13-17-6-8-18(9-7-17)14-26-12-4-5-19(15-26)23-22(28)20-10-11-21(27)25(3)24-20/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,23,28)/t19-/m0/s1
InChIKeyFUYYUVHKBWXSBP-IBGZPJMESA-N
XLogP2.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
CID 45229509
3-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxophthalazine-1-carboxamide
CID 24790624
5-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 45215528
1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide
CID 45243943
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 42593228
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]oxane-4-carboxamide
CID 42244583
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24791440
N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172933961
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pent-4-enamide
CID 45236984
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 45170113
2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 45246796
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 45215918

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide (CID 42382294) is 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide is CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)cc1.
What is the InChIKey of 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide?
The InChIKey is FUYYUVHKBWXSBP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16(2)13-17-6-8-18(9-7-17)14-26-12-4-5-19(15-26)23-22(28)20-10-11-21(27)25(3)24-20/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,23,28)/t19-/m0/s1.
What are the key properties of 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42382294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).