N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide

C16H14Br2N4O2 — CID 11705144

IUPACN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2cc(Br)ccc2Br)cc(N)c1C#N
InChIInChI=1S/C16H14Br2N4O2/c1-2-24-16-11(8-19)13(20)7-14(22-16)21-15(23)6-9-5-10(17)3-4-12(9)18/h3-5,7H,2,6H2,1H3,(H3,20,21,22,23)
InChIKeyJNCRDJFWGNSROM-UHFFFAOYSA-N
MW454.12 g/mol
LogP3.64
Rot. Bonds5

About N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide (PubChem CID 11705144) has the molecular formula C16H14Br2N4O2 and a molecular weight of 454.12 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide
PubChem CID11705144
Molecular FormulaC16H14Br2N4O2
Molecular Weight454.12 g/mol
Exact Mass451.95
IUPAC NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2cc(Br)ccc2Br)cc(N)c1C#N
InChIInChI=1S/C16H14Br2N4O2/c1-2-24-16-11(8-19)13(20)7-14(22-16)21-15(23)6-9-5-10(17)3-4-12(9)18/h3-5,7H,2,6H2,1H3,(H3,20,21,22,23)
InChIKeyJNCRDJFWGNSROM-UHFFFAOYSA-N
XLogP3.64
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.12
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
CID 11558435
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-chlorophenyl)acetamide
CID 11544489
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 11588450
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 11652380
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 11653462
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide
CID 11524194
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
CID 70924877
4-amino-5-cyano-6-ethoxy-N-phenylpyridine-2-carboxamide
CID 70924732
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide
CID 143926752
1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 11589163
N-(5-cyano-6-ethoxy-4-methyl-2-pyridinyl)acetamide
CID 11622644
N-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 11610382

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide?
The IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide (CID 11705144) is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide?
The canonical SMILES for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide is CCOc1nc(NC(=O)Cc2cc(Br)ccc2Br)cc(N)c1C#N.
What is the InChIKey of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide?
The InChIKey is JNCRDJFWGNSROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N4O2/c1-2-24-16-11(8-19)13(20)7-14(22-16)21-15(23)6-9-5-10(17)3-4-12(9)18/h3-5,7H,2,6H2,1H3,(H3,20,21,22,23).
What are the key properties of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide?
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide has a molecular weight of 454.12 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dibromophenyl)acetamide is sourced from PubChem (CID 11705144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).