N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide

C20H23N7O2 — CID 134064167

IUPACN-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
SMILESCn1c(-c2ccccn2)nn(CCNC(=O)C2CC(c3ccccc3)NN2)c1=O
InChIInChI=1S/C20H23N7O2/c1-26-18(15-9-5-6-10-21-15)25-27(20(26)29)12-11-22-19(28)17-13-16(23-24-17)14-7-3-2-4-8-14/h2-10,16-17,23-24H,11-13H2,1H3,(H,22,28)
InChIKeyCTPVNIMRXRIKDE-UHFFFAOYSA-N
MW393.45 g/mol
LogP0.37
Rot. Bonds6

About N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide

N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide (PubChem CID 134064167) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
PubChem CID134064167
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
SMILESCn1c(-c2ccccn2)nn(CCNC(=O)C2CC(c3ccccc3)NN2)c1=O
InChIInChI=1S/C20H23N7O2/c1-26-18(15-9-5-6-10-21-15)25-27(20(26)29)12-11-22-19(28)17-13-16(23-24-17)14-7-3-2-4-8-14/h2-10,16-17,23-24H,11-13H2,1H3,(H,22,28)
InChIKeyCTPVNIMRXRIKDE-UHFFFAOYSA-N
XLogP0.37
TPSA105.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 71793308
2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide
CID 121116005
N-[2-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121115984
2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 71793328
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121116075
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 71793314
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide
CID 121116105
4-bromo-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121116021
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121115997
1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea
CID 121078301
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71793336

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide (CID 134064167) is N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide is Cn1c(-c2ccccn2)nn(CCNC(=O)C2CC(c3ccccc3)NN2)c1=O.
What is the InChIKey of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is CTPVNIMRXRIKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-26-18(15-9-5-6-10-21-15)25-27(20(26)29)12-11-22-19(28)17-13-16(23-24-17)14-7-3-2-4-8-14/h2-10,16-17,23-24H,11-13H2,1H3,(H,22,28).
What are the key properties of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide?
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134064167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).