2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile

C19H15N5O4 — CID 143752786

IUPAC2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(OCc2cocn2)c(C#N)c1-c1ccc(OCCO)cc1
InChIInChI=1S/C19H15N5O4/c20-7-15-17(12-1-3-14(4-2-12)27-6-5-25)16(8-21)19(24-18(15)22)28-10-13-9-26-11-23-13/h1-4,9,11,25H,5-6,10H2,(H2,22,24)
InChIKeyDXZVSQMCVULDEO-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.01
Rot. Bonds7

About 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile

2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile (PubChem CID 143752786) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile
PubChem CID143752786
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC Name2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(OCc2cocn2)c(C#N)c1-c1ccc(OCCO)cc1
InChIInChI=1S/C19H15N5O4/c20-7-15-17(12-1-3-14(4-2-12)27-6-5-25)16(8-21)19(24-18(15)22)28-10-13-9-26-11-23-13/h1-4,9,11,25H,5-6,10H2,(H2,22,24)
InChIKeyDXZVSQMCVULDEO-UHFFFAOYSA-N
XLogP2.01
TPSA151.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-6-(2-cyanoethylsulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 169151815
2-chloro-4-[4-(2-hydroxyethoxy)phenyl]-6-methoxypyridine-3,5-dicarbonitrile
CID 86654213
2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 24830466
2-amino-6-benzylsulfanyl-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710171
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11255849
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile
CID 169151886
2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-(2-methoxyethylsulfanyl)pyridine-3,5-dicarbonitrile;ethane
CID 169151765
3-[[6-amino-3,5-dicyano-4-[4-(oxolan-3-yloxy)phenyl]-2-pyridinyl]oxymethyl]benzoic acid
CID 66844345
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 169151780
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 89229641
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 89229589
2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3343274

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile (CID 143752786) is 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(OCc2cocn2)c(C#N)c1-c1ccc(OCCO)cc1.
What is the InChIKey of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile?
The InChIKey is DXZVSQMCVULDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c20-7-15-17(12-1-3-14(4-2-12)27-6-5-25)16(8-21)19(24-18(15)22)28-10-13-9-26-11-23-13/h1-4,9,11,25H,5-6,10H2,(H2,22,24).
What are the key properties of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile?
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile has a molecular weight of 377.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 143752786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).