N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide

C19H21N7O2 — CID 70735953

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESCn1ncc(N2CCC(CNC(=O)c3cccc(-n4cnnc4)c3)C2)cc1=O
InChIInChI=1S/C19H21N7O2/c1-24-18(27)8-17(10-23-24)25-6-5-14(11-25)9-20-19(28)15-3-2-4-16(7-15)26-12-21-22-13-26/h2-4,7-8,10,12-14H,5-6,9,11H2,1H3,(H,20,28)
InChIKeySNZXIEWFQWKPCI-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.62
Rot. Bonds5

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 70735953) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID70735953
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESCn1ncc(N2CCC(CNC(=O)c3cccc(-n4cnnc4)c3)C2)cc1=O
InChIInChI=1S/C19H21N7O2/c1-24-18(27)8-17(10-23-24)25-6-5-14(11-25)9-20-19(28)15-3-2-4-16(7-15)26-12-21-22-13-26/h2-4,7-8,10,12-14H,5-6,9,11H2,1H3,(H,20,28)
InChIKeySNZXIEWFQWKPCI-UHFFFAOYSA-N
XLogP0.62
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
2-methoxy-6-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70780609
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 118765014
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 45173814
3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 45196861
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 45236169
3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 45242027
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-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70727053

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 70735953) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide is Cn1ncc(N2CCC(CNC(=O)c3cccc(-n4cnnc4)c3)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is SNZXIEWFQWKPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-24-18(27)8-17(10-23-24)25-6-5-14(11-25)9-20-19(28)15-3-2-4-16(7-15)26-12-21-22-13-26/h2-4,7-8,10,12-14H,5-6,9,11H2,1H3,(H,20,28).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 70735953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).