1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide

C19H22N4O3 — CID 53065911

IUPAC1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESO=C(CCn1nc(C(=O)Nc2ccccc2)ccc1=O)NC1CCCC1
InChIInChI=1S/C19H22N4O3/c24-17(20-14-8-4-5-9-14)12-13-23-18(25)11-10-16(22-23)19(26)21-15-6-2-1-3-7-15/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H,20,24)(H,21,26)
InChIKeyWTHXFVAADGNGFT-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.94
Rot. Bonds6

About 1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide

1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide (PubChem CID 53065911) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
PubChem CID53065911
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESO=C(CCn1nc(C(=O)Nc2ccccc2)ccc1=O)NC1CCCC1
InChIInChI=1S/C19H22N4O3/c24-17(20-14-8-4-5-9-14)12-13-23-18(25)11-10-16(22-23)19(26)21-15-6-2-1-3-7-15/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H,20,24)(H,21,26)
InChIKeyWTHXFVAADGNGFT-UHFFFAOYSA-N
XLogP1.94
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(cycloheptylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066145
1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066171
6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide
CID 53065920
1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066008
1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066191
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 53065932
1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 42161985
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
[2-(cyclopentylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080249
N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 55599425

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide (CID 53065911) is 1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide is O=C(CCn1nc(C(=O)Nc2ccccc2)ccc1=O)NC1CCCC1.
What is the InChIKey of 1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
The InChIKey is WTHXFVAADGNGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-17(20-14-8-4-5-9-14)12-13-23-18(25)11-10-16(22-23)19(26)21-15-6-2-1-3-7-15/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H,20,24)(H,21,26).
What are the key properties of 1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 53065911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).