N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide

C14H12BrN5O2 — CID 66749535

IUPACN-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(-c3ncn[nH]3)c(Br)o2)c(C)cn1
InChIInChI=1S/C14H12BrN5O2/c1-7-5-16-12(19-8(2)21)4-9(7)11-3-10(13(15)22-11)14-17-6-18-20-14/h3-6H,1-2H3,(H,16,19,21)(H,17,18,20)
InChIKeyONKCDDFLUDBNLC-UHFFFAOYSA-N
MW362.19 g/mol
LogP3.16
Rot. Bonds3

About N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide

N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide (PubChem CID 66749535) has the molecular formula C14H12BrN5O2 and a molecular weight of 362.19 g/mol. Its IUPAC name is N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
PubChem CID66749535
Molecular FormulaC14H12BrN5O2
Molecular Weight362.19 g/mol
Exact Mass361.02
IUPAC NameN-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(-c3ncn[nH]3)c(Br)o2)c(C)cn1
InChIInChI=1S/C14H12BrN5O2/c1-7-5-16-12(19-8(2)21)4-9(7)11-3-10(13(15)22-11)14-17-6-18-20-14/h3-6H,1-2H3,(H,16,19,21)(H,17,18,20)
InChIKeyONKCDDFLUDBNLC-UHFFFAOYSA-N
XLogP3.16
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide (CID 66749535) is N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc(-c3ncn[nH]3)c(Br)o2)c(C)cn1.
What is the InChIKey of N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide?
The InChIKey is ONKCDDFLUDBNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O2/c1-7-5-16-12(19-8(2)21)4-9(7)11-3-10(13(15)22-11)14-17-6-18-20-14/h3-6H,1-2H3,(H,16,19,21)(H,17,18,20).
What are the key properties of N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide?
N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide has a molecular weight of 362.19 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 66749535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).