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

C17H19N5O3 — CID 121079039

IUPAC2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCn2nc(-c3cccnc3)n(C)c2=O)c(C)o1
InChIInChI=1S/C17H19N5O3/c1-11-9-14(12(2)25-11)16(23)19-7-8-22-17(24)21(3)15(20-22)13-5-4-6-18-10-13/h4-6,9-10H,7-8H2,1-3H3,(H,19,23)
InChIKeyKBJUNXCEMLMDKB-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.28
Rot. Bonds5

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

2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide (PubChem CID 121079039) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide
PubChem CID121079039
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCn2nc(-c3cccnc3)n(C)c2=O)c(C)o1
InChIInChI=1S/C17H19N5O3/c1-11-9-14(12(2)25-11)16(23)19-7-8-22-17(24)21(3)15(20-22)13-5-4-6-18-10-13/h4-6,9-10H,7-8H2,1-3H3,(H,19,23)
InChIKeyKBJUNXCEMLMDKB-UHFFFAOYSA-N
XLogP1.28
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121078976
2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121078971
2-chloro-4-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121079000
2-(difluoromethylsulfanyl)-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121079035
N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 121079027
N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
CID 121078990
1-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121078344
3-[1-[2-(dimethylsulfamoylamino)ethyl]-4-methyl-5-oxo-1,2,4-triazol-3-yl]pyridine
CID 121077991
3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide
CID 121079010
1-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
CID 121078336
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-methylbenzamide
CID 121116419
2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 121122150

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide (CID 121079039) is 2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide is Cc1cc(C(=O)NCCn2nc(-c3cccnc3)n(C)c2=O)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide?
The InChIKey is KBJUNXCEMLMDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11-9-14(12(2)25-11)16(23)19-7-8-22-17(24)21(3)15(20-22)13-5-4-6-18-10-13/h4-6,9-10H,7-8H2,1-3H3,(H,19,23).
What are the key properties of 2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 121079039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).