N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

C23H26N6O3 — CID 55968536

IUPACN-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)c2ccccc2c1=O
InChIInChI=1S/C23H26N6O3/c1-14(2)29-23(32)18-8-4-3-7-17(18)20(27-29)22(31)26-16-9-10-19(25-12-16)28-11-5-6-15(13-28)21(24)30/h3-4,7-10,12,14-15H,5-6,11,13H2,1-2H3,(H2,24,30)(H,26,31)
InChIKeyPVFHZZCJXIQKDS-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.33
Rot. Bonds5

About N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 55968536) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID55968536
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC NameN-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)c2ccccc2c1=O
InChIInChI=1S/C23H26N6O3/c1-14(2)29-23(32)18-8-4-3-7-17(18)20(27-29)22(31)26-16-9-10-19(25-12-16)28-11-5-6-15(13-28)21(24)30/h3-4,7-10,12,14-15H,5-6,11,13H2,1-2H3,(H2,24,30)(H,26,31)
InChIKeyPVFHZZCJXIQKDS-UHFFFAOYSA-N
XLogP2.33
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55700846
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55970593
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971087
N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2664740
1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701002
1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86883409
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 55970974
1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55968667

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (CID 55968536) is N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is CC(C)n1nc(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)c2ccccc2c1=O.
What is the InChIKey of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is PVFHZZCJXIQKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-14(2)29-23(32)18-8-4-3-7-17(18)20(27-29)22(31)26-16-9-10-19(25-12-16)28-11-5-6-15(13-28)21(24)30/h3-4,7-10,12,14-15H,5-6,11,13H2,1-2H3,(H2,24,30)(H,26,31).
What are the key properties of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 55968536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).