N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H16N6O2 — CID 121197168

IUPACN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCc3cncc(-c4ccco4)c3)nc2n1
InChIInChI=1S/C18H16N6O2/c1-11-6-12(2)24-18(21-11)22-16(23-24)17(25)20-9-13-7-14(10-19-8-13)15-4-3-5-26-15/h3-8,10H,9H2,1-2H3,(H,20,25)
InChIKeyIILOSJBAFOJSSU-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.33
Rot. Bonds4

About N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 121197168) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID121197168
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCc3cncc(-c4ccco4)c3)nc2n1
InChIInChI=1S/C18H16N6O2/c1-11-6-12(2)24-18(21-11)22-16(23-24)17(25)20-9-13-7-14(10-19-8-13)15-4-3-5-26-15/h3-8,10H,9H2,1-2H3,(H,20,25)
InChIKeyIILOSJBAFOJSSU-UHFFFAOYSA-N
XLogP2.33
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197121
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 121197126
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
CID 121197008
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
CID 121197083
5,7-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 27052907
4-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 119105467
2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197010
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 121197199
5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197085

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 121197168) is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCc3cncc(-c4ccco4)c3)nc2n1.
What is the InChIKey of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IILOSJBAFOJSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-11-6-12(2)24-18(21-11)22-16(23-24)17(25)20-9-13-7-14(10-19-8-13)15-4-3-5-26-15/h3-8,10H,9H2,1-2H3,(H,20,25).
What are the key properties of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 121197168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).