N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

C19H21N7O2 — CID 70775327

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCn1ncc(N2CCC(CNC(=O)c3ccccc3-c3ncn[nH]3)C2)cc1=O
InChIInChI=1S/C19H21N7O2/c1-25-17(27)8-14(10-23-25)26-7-6-13(11-26)9-20-19(28)16-5-3-2-4-15(16)18-21-12-22-24-18/h2-5,8,10,12-13H,6-7,9,11H2,1H3,(H,20,28)(H,21,22,24)
InChIKeySRPGIJNPRWRFKH-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.82
Rot. Bonds5

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 70775327) 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]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID70775327
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCn1ncc(N2CCC(CNC(=O)c3ccccc3-c3ncn[nH]3)C2)cc1=O
InChIInChI=1S/C19H21N7O2/c1-25-17(27)8-14(10-23-25)26-7-6-13(11-26)9-20-19(28)16-5-3-2-4-15(16)18-21-12-22-24-18/h2-5,8,10,12-13H,6-7,9,11H2,1H3,(H,20,28)(H,21,22,24)
InChIKeySRPGIJNPRWRFKH-UHFFFAOYSA-N
XLogP0.82
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 70775327) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is Cn1ncc(N2CCC(CNC(=O)c3ccccc3-c3ncn[nH]3)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is SRPGIJNPRWRFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-25-17(27)8-14(10-23-25)26-7-6-13(11-26)9-20-19(28)16-5-3-2-4-15(16)18-21-12-22-24-18/h2-5,8,10,12-13H,6-7,9,11H2,1H3,(H,20,28)(H,21,22,24).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 70775327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).