3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide

C19H23ClN4O2 — CID 45196861

IUPAC3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCc3ccccc3Cl)C2)cc1=O
InChIInChI=1S/C19H23ClN4O2/c1-23-19(26)10-16(12-22-23)24-9-8-14(13-24)11-21-18(25)7-6-15-4-2-3-5-17(15)20/h2-5,10,12,14H,6-9,11,13H2,1H3,(H,21,25)
InChIKeyDSTKWADQQZAZBY-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.01
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide

3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide (PubChem CID 45196861) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
PubChem CID45196861
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCc3ccccc3Cl)C2)cc1=O
InChIInChI=1S/C19H23ClN4O2/c1-23-19(26)10-16(12-22-23)24-9-8-14(13-24)11-21-18(25)7-6-15-4-2-3-5-17(15)20/h2-5,10,12,14H,6-9,11,13H2,1H3,(H,21,25)
InChIKeyDSTKWADQQZAZBY-UHFFFAOYSA-N
XLogP2.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 70755397
3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46453922
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
CID 56881772
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 70730789
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 70739773
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 70728096
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 45173814
2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70722394
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-propylbenzamide
CID 70745919
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 70735953
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
2-methyl-5-[3-[[(1-phenylpiperidin-4-yl)amino]methyl]pyrrolidin-1-yl]pyridazin-3-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide (CID 45196861) is 3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide is Cn1ncc(N2CCC(CNC(=O)CCc3ccccc3Cl)C2)cc1=O.
What is the InChIKey of 3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is DSTKWADQQZAZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-23-19(26)10-16(12-22-23)24-9-8-14(13-24)11-21-18(25)7-6-15-4-2-3-5-17(15)20/h2-5,10,12,14H,6-9,11,13H2,1H3,(H,21,25).
What are the key properties of 3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide?
3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 374.87 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 45196861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).