1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide

C19H25N5O4S — CID 55983638

IUPAC1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1cccnc1N1CCCCC1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1
InChIInChI=1S/C19H25N5O4S/c25-17-7-6-16(22-24(17)14-8-12-29(27,28)13-14)19(26)21-15-5-4-9-20-18(15)23-10-2-1-3-11-23/h4-5,9,14H,1-3,6-8,10-13H2,(H,21,26)
InChIKeyQAUMMCCALUSVJA-UHFFFAOYSA-N
MW419.51 g/mol
LogP1.18
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide

1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55983638) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID55983638
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC Name1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1cccnc1N1CCCCC1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1
InChIInChI=1S/C19H25N5O4S/c25-17-7-6-16(22-24(17)14-8-12-29(27,28)13-14)19(26)21-15-5-4-9-20-18(15)23-10-2-1-3-11-23/h4-5,9,14H,1-3,6-8,10-13H2,(H,21,26)
InChIKeyQAUMMCCALUSVJA-UHFFFAOYSA-N
XLogP1.18
TPSA112.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 43013811
N-[2-(cyclopentylcarbamoyl)phenyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25485147
N-(2-tert-butylphenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17490128
1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-propoxyphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 17416602
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-iodophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25479676
N-(5-chloro-2-fluorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25439081
N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42906742
1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
CID 53369622
1-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25391678
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25411884
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 8778813
1-[(3S)-1,1-dioxothiolan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 8778815

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide (CID 55983638) is 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1cccnc1N1CCCCC1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is QAUMMCCALUSVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c25-17-7-6-16(22-24(17)14-8-12-29(27,28)13-14)19(26)21-15-5-4-9-20-18(15)23-10-2-1-3-11-23/h4-5,9,14H,1-3,6-8,10-13H2,(H,21,26).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide?
1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55983638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).