N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide

C19H16N6O2 — CID 155481751

IUPACN-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide
SMILES[H]/N=C(\c1cnco1)c1cc(NC(=O)c2ccnc(C#N)c2CC)ccc1N
InChIInChI=1S/C19H16N6O2/c1-2-12-13(5-6-24-16(12)8-20)19(26)25-11-3-4-15(21)14(7-11)18(22)17-9-23-10-27-17/h3-7,9-10,22H,2,21H2,1H3,(H,25,26)/b22-18-
InChIKeyPQHIYVHZFPXIBT-PYCFMQQDSA-N
MW360.38 g/mol
LogP2.75
Rot. Bonds5

About N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide

N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide (PubChem CID 155481751) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide
PubChem CID155481751
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC NameN-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide
SMILES[H]/N=C(\c1cnco1)c1cc(NC(=O)c2ccnc(C#N)c2CC)ccc1N
InChIInChI=1S/C19H16N6O2/c1-2-12-13(5-6-24-16(12)8-20)19(26)25-11-3-4-15(21)14(7-11)18(22)17-9-23-10-27-17/h3-7,9-10,22H,2,21H2,1H3,(H,25,26)/b22-18-
InChIKeyPQHIYVHZFPXIBT-PYCFMQQDSA-N
XLogP2.75
TPSA141.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
CID 155574812
N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide
CID 155482075
N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482169
3-bromo-2-fluoro-6-methyl-N-[4-methyl-3-(1,3-oxazole-5-carboximidoyl)phenyl]benzamide
CID 167629769
N-[4-amino-3-(pyrimidine-4-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridin-1-ium-2-carboxamide
CID 176517176
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide
CID 155481992
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 155482677
N-[4-amino-3-(6-methylpyridine-2-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155481963
(5R,6R)-5-[4-amino-3-(1,3-oxazole-5-carboximidoyl)anilino]-6-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;molecular hydrogen;hydroiodide
CID 156851073
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-chloro-5-cyanopyridine-2-carboxamide
CID 155481986
3,4-diamino-N-[4-amino-3-(pyridine-4-carboximidoyl)phenyl]-2-methylbenzamide
CID 155134753
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
CID 155481757

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide?
The IUPAC name of N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide (CID 155481751) is N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide?
The canonical SMILES for N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide is [H]/N=C(\c1cnco1)c1cc(NC(=O)c2ccnc(C#N)c2CC)ccc1N.
What is the InChIKey of N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide?
The InChIKey is PQHIYVHZFPXIBT-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-2-12-13(5-6-24-16(12)8-20)19(26)25-11-3-4-15(21)14(7-11)18(22)17-9-23-10-27-17/h3-7,9-10,22H,2,21H2,1H3,(H,25,26)/b22-18-.
What are the key properties of N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide?
N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide is sourced from PubChem (CID 155481751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).