N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide

C24H29N5O2 — CID 140621420

IUPACN-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
SMILESC=CCC(=O)N1CCC(c2ccc(NC(=O)C3CCN(c4cccnn4)C3)cc2)CC1
InChIInChI=1S/C24H29N5O2/c1-2-4-23(30)28-14-10-19(11-15-28)18-6-8-21(9-7-18)26-24(31)20-12-16-29(17-20)22-5-3-13-25-27-22/h2-3,5-9,13,19-20H,1,4,10-12,14-17H2,(H,26,31)
InChIKeyHQSIHQMWMBQMPD-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.22
Rot. Bonds6

About N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide

N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide (PubChem CID 140621420) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
PubChem CID140621420
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
SMILESC=CCC(=O)N1CCC(c2ccc(NC(=O)C3CCN(c4cccnn4)C3)cc2)CC1
InChIInChI=1S/C24H29N5O2/c1-2-4-23(30)28-14-10-19(11-15-28)18-6-8-21(9-7-18)26-24(31)20-12-16-29(17-20)22-5-3-13-25-27-22/h2-3,5-9,13,19-20H,1,4,10-12,14-17H2,(H,26,31)
InChIKeyHQSIHQMWMBQMPD-UHFFFAOYSA-N
XLogP3.22
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621498
N-[4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621401
1-pyridazin-3-yl-N-[4-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]phenyl]pyrrolidine-3-carboxamide
CID 90012344
N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621530
N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621522
1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110269133
N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide
CID 140621400
4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid
CID 90012703
tert-butyl 4-[4-[[(3S)-1-pyridazin-3-ylpyrrolidine-3-carbonyl]amino]phenoxy]piperidine-1-carboxylate
CID 86702075
N-[4-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]phenyl]-1-(4-methylpyridazin-3-yl)pyrrolidine-3-carboxamide
CID 140621535
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 125013785

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide (CID 140621420) is N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide is C=CCC(=O)N1CCC(c2ccc(NC(=O)C3CCN(c4cccnn4)C3)cc2)CC1.
What is the InChIKey of N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is HQSIHQMWMBQMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-2-4-23(30)28-14-10-19(11-15-28)18-6-8-21(9-7-18)26-24(31)20-12-16-29(17-20)22-5-3-13-25-27-22/h2-3,5-9,13,19-20H,1,4,10-12,14-17H2,(H,26,31).
What are the key properties of N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 140621420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).