1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide

C18H23N5O2 — CID 37275934

IUPAC1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(N3CCCC3)nc2)ccc1=O
InChIInChI=1S/C18H23N5O2/c1-2-3-12-23-17(24)9-7-15(21-23)18(25)20-14-6-8-16(19-13-14)22-10-4-5-11-22/h6-9,13H,2-5,10-12H2,1H3,(H,20,25)
InChIKeyZAQRNDHFWQMXJS-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.29
Rot. Bonds6

About 1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide

1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide (PubChem CID 37275934) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide
PubChem CID37275934
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(N3CCCC3)nc2)ccc1=O
InChIInChI=1S/C18H23N5O2/c1-2-3-12-23-17(24)9-7-15(21-23)18(25)20-14-6-8-16(19-13-14)22-10-4-5-11-22/h6-9,13H,2-5,10-12H2,1H3,(H,20,25)
InChIKeyZAQRNDHFWQMXJS-UHFFFAOYSA-N
XLogP2.29
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 30133849
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
N-(6-methoxy-3-pyridinyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18107814
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 47067765
1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide
CID 35275786
1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 34242671
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide (CID 37275934) is 1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ccc(N3CCCC3)nc2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide?
The InChIKey is ZAQRNDHFWQMXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-3-12-23-17(24)9-7-15(21-23)18(25)20-14-6-8-16(19-13-14)22-10-4-5-11-22/h6-9,13H,2-5,10-12H2,1H3,(H,20,25).
What are the key properties of 1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide?
1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide is sourced from PubChem (CID 37275934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).