N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide

C20H17N5O2 — CID 70763383

IUPACN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(c1cccc(-n2cnnc2)c1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C20H17N5O2/c26-20(16-5-3-7-18(11-16)25-14-22-23-15-25)24(13-19-8-4-10-27-19)12-17-6-1-2-9-21-17/h1-11,14-15H,12-13H2
InChIKeyISBPXXVJHYVSEQ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.10
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide

N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 70763383) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID70763383
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(c1cccc(-n2cnnc2)c1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C20H17N5O2/c26-20(16-5-3-7-18(11-16)25-14-22-23-15-25)24(13-19-8-4-10-27-19)12-17-6-1-2-9-21-17/h1-11,14-15H,12-13H2
InChIKeyISBPXXVJHYVSEQ-UHFFFAOYSA-N
XLogP3.10
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710
N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084660
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
5-bromo-2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084721
2-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 56724069
2-ethoxy-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084654
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
2-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 121084664
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084809
1-(furan-2-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 52906824

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide (CID 70763383) is N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide is O=C(c1cccc(-n2cnnc2)c1)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is ISBPXXVJHYVSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-20(16-5-3-7-18(11-16)25-14-22-23-15-25)24(13-19-8-4-10-27-19)12-17-6-1-2-9-21-17/h1-11,14-15H,12-13H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide?
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 70763383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).