1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide

C19H24N4O2 — CID 45229509

IUPAC1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCN(CCc3ccccc3)C2)ccc1=O
InChIInChI=1S/C19H24N4O2/c1-22-18(24)10-9-17(21-22)19(25)20-16-8-5-12-23(14-16)13-11-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3,(H,20,25)
InChIKeySNJRCYOBYRBJKE-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.22
Rot. Bonds5

About 1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide (PubChem CID 45229509) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
PubChem CID45229509
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCN(CCc3ccccc3)C2)ccc1=O
InChIInChI=1S/C19H24N4O2/c1-22-18(24)10-9-17(21-22)19(25)20-16-8-5-12-23(14-16)13-11-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3,(H,20,25)
InChIKeySNJRCYOBYRBJKE-UHFFFAOYSA-N
XLogP1.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide
CID 42382294
2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 42309159
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 25456242
3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45205527
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide
CID 45178007
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291
1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide
CID 75461600
N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide (CID 45229509) is 1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide is Cn1nc(C(=O)NC2CCCN(CCc3ccccc3)C2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide?
The InChIKey is SNJRCYOBYRBJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-18(24)10-9-17(21-22)19(25)20-16-8-5-12-23(14-16)13-11-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3,(H,20,25).
What are the key properties of 1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 45229509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).