N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide

C20H23ClN4O3 — CID 110246471

IUPACN-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(=O)n(CC(=O)N2CCC(C(=O)NCCc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C20H23ClN4O3/c1-14-2-7-18(26)25(23-14)13-19(27)24-11-9-16(12-24)20(28)22-10-8-15-3-5-17(21)6-4-15/h2-7,16H,8-13H2,1H3,(H,22,28)
InChIKeyVZGNKLZJDINQIX-UHFFFAOYSA-N
MW402.88 g/mol
LogP1.41
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide (PubChem CID 110246471) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide
PubChem CID110246471
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(=O)n(CC(=O)N2CCC(C(=O)NCCc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C20H23ClN4O3/c1-14-2-7-18(26)25(23-14)13-19(27)24-11-9-16(12-24)20(28)22-10-8-15-3-5-17(21)6-4-15/h2-7,16H,8-13H2,1H3,(H,22,28)
InChIKeyVZGNKLZJDINQIX-UHFFFAOYSA-N
XLogP1.41
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 92633431
N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 110246546
2-[2-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 166612878
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
(2S)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperazine-2-carboxamide
CID 124999176
1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole
CID 178170559
N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 110246506
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 111101960
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide (CID 110246471) is N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide is Cc1ccc(=O)n(CC(=O)N2CCC(C(=O)NCCc3ccc(Cl)cc3)C2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide?
The InChIKey is VZGNKLZJDINQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-14-2-7-18(26)25(23-14)13-19(27)24-11-9-16(12-24)20(28)22-10-8-15-3-5-17(21)6-4-15/h2-7,16H,8-13H2,1H3,(H,22,28).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110246471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).