N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

C17H28N4O2 — CID 94025908

IUPACN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)ccc1=O
InChIInChI=1S/C17H28N4O2/c1-4-8-21-16(22)6-5-15(19-21)17(23)18-7-9-20-11-13(2)10-14(3)12-20/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,23)/t13-,14-/m0/s1
InChIKeyZZHFCHJFMGWLNW-KBPBESRZSA-N
MW320.44 g/mol
LogP1.36
Rot. Bonds6

About N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 94025908) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID94025908
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)ccc1=O
InChIInChI=1S/C17H28N4O2/c1-4-8-21-16(22)6-5-15(19-21)17(23)18-7-9-20-11-13(2)10-14(3)12-20/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,23)/t13-,14-/m0/s1
InChIKeyZZHFCHJFMGWLNW-KBPBESRZSA-N
XLogP1.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 2541694
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55657899
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 60569000
N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 115699825
4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832412
6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide
CID 55859833
N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 111426020

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 94025908) is N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)ccc1=O.
What is the InChIKey of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is ZZHFCHJFMGWLNW-KBPBESRZSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-8-21-16(22)6-5-15(19-21)17(23)18-7-9-20-11-13(2)10-14(3)12-20/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,23)/t13-,14-/m0/s1.
What are the key properties of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 94025908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).