N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide

C12H13BrN4O2 — CID 119051217

IUPACN-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cnc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C12H13BrN4O2/c13-10-7-9(16-11(18)1-2-14)8-15-12(10)17-3-5-19-6-4-17/h7-8H,1,3-6H2,(H,16,18)
InChIKeyDZBLNOIZQKXZIX-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.53
Rot. Bonds3

About N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide

N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide (PubChem CID 119051217) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide
PubChem CID119051217
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC NameN-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cnc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C12H13BrN4O2/c13-10-7-9(16-11(18)1-2-14)8-15-12(10)17-3-5-19-6-4-17/h7-8H,1,3-6H2,(H,16,18)
InChIKeyDZBLNOIZQKXZIX-UHFFFAOYSA-N
XLogP1.53
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 100693808
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
2-cyano-N-(2-methylpyrimidin-5-yl)acetamide
CID 130643403
4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine
CID 97180514
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645
5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine
CID 124888694
2-cyano-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 25060146
2-cyano-N-[4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
CID 143742096
2-cyano-N-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 25062228
prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 534180
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18143195

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide?
The IUPAC name of N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide (CID 119051217) is N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide.
What is the SMILES notation for N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide?
The canonical SMILES for N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide is N#CCC(=O)Nc1cnc(N2CCOCC2)c(Br)c1.
What is the InChIKey of N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide?
The InChIKey is DZBLNOIZQKXZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c13-10-7-9(16-11(18)1-2-14)8-15-12(10)17-3-5-19-6-4-17/h7-8H,1,3-6H2,(H,16,18).
What are the key properties of N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide?
N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide has a molecular weight of 325.17 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide is sourced from PubChem (CID 119051217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).