N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide

C26H27N5O2 — CID 140621522

IUPACN-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
SMILESCc1ccccc1C(=O)N1CC(c2ccc(NC(=O)C3CCN(c4cccnn4)C3)cc2)C1
InChIInChI=1S/C26H27N5O2/c1-18-5-2-3-6-23(18)26(33)31-16-21(17-31)19-8-10-22(11-9-19)28-25(32)20-12-14-30(15-20)24-7-4-13-27-29-24/h2-11,13,20-21H,12,14-17H2,1H3,(H,28,32)
InChIKeyJZOWVPKJMSNBDB-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.49
Rot. Bonds5

About N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide

N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide (PubChem CID 140621522) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
PubChem CID140621522
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
SMILESCc1ccccc1C(=O)N1CC(c2ccc(NC(=O)C3CCN(c4cccnn4)C3)cc2)C1
InChIInChI=1S/C26H27N5O2/c1-18-5-2-3-6-23(18)26(33)31-16-21(17-31)19-8-10-22(11-9-19)28-25(32)20-12-14-30(15-20)24-7-4-13-27-29-24/h2-11,13,20-21H,12,14-17H2,1H3,(H,28,32)
InChIKeyJZOWVPKJMSNBDB-UHFFFAOYSA-N
XLogP3.49
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621498
N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621420
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-(4-chlorophenyl)acetyl]piperidin-4-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621401
1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110269133
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
tert-butyl 4-[4-[[(3S)-1-pyridazin-3-ylpyrrolidine-3-carbonyl]amino]phenoxy]piperidine-1-carboxylate
CID 86702075
(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 125013785
N-[4-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]phenyl]-1-(4-methylpyridazin-3-yl)pyrrolidine-3-carboxamide
CID 140621535
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide (CID 140621522) is N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide is Cc1ccccc1C(=O)N1CC(c2ccc(NC(=O)C3CCN(c4cccnn4)C3)cc2)C1.
What is the InChIKey of N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is JZOWVPKJMSNBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-5-2-3-6-23(18)26(33)31-16-21(17-31)19-8-10-22(11-9-19)28-25(32)20-12-14-30(15-20)24-7-4-13-27-29-24/h2-11,13,20-21H,12,14-17H2,1H3,(H,28,32).
What are the key properties of N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 140621522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).