N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide

C23H23N7O5 — CID 55700846

IUPACN-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H23N7O5/c1-14-11-19(31)21(27-29(14)17-6-2-3-7-18(17)30(34)35)23(33)26-16-8-9-20(25-12-16)28-10-4-5-15(13-28)22(24)32/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H2,24,32)(H,26,33)
InChIKeyLYYMCCVEAFOJJB-UHFFFAOYSA-N
MW477.48 g/mol
LogP1.80
Rot. Bonds6

About N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide

N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 55700846) has the molecular formula C23H23N7O5 and a molecular weight of 477.48 g/mol. Its IUPAC name is N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
PubChem CID55700846
Molecular FormulaC23H23N7O5
Molecular Weight477.48 g/mol
Exact Mass477.18
IUPAC NameN-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H23N7O5/c1-14-11-19(31)21(27-29(14)17-6-2-3-7-18(17)30(34)35)23(33)26-16-8-9-20(25-12-16)28-10-4-5-15(13-28)22(24)32/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H2,24,32)(H,26,33)
InChIKeyLYYMCCVEAFOJJB-UHFFFAOYSA-N
XLogP1.80
TPSA166.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971344
6-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 51613671
6-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 51952202
6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55787723
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55968536
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
N-[4-(2-methoxyphenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 27054324
6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55776609
N-(4-aminocyclohexyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 119475112
N-[4-(dimethylcarbamoyl)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 34546766
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
6-methyl-1-(2-nitrophenyl)-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridazine-3-carboxamide
CID 7678371

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide (CID 55700846) is N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)nn1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is LYYMCCVEAFOJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O5/c1-14-11-19(31)21(27-29(14)17-6-2-3-7-18(17)30(34)35)23(33)26-16-8-9-20(25-12-16)28-10-4-5-15(13-28)22(24)32/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H2,24,32)(H,26,33).
What are the key properties of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 477.48 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55700846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).