N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen

C19H17F3N6O2 — CID 155574812

IUPACN-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
SMILES[H]/N=C(\c1cnco1)c1cc(NC(=O)c2ncc(C#N)c(C(F)(F)F)c2C)ccc1N.[H][H].[H][H]
InChIInChI=1S/C19H13F3N6O2.2H2/c1-9-15(19(20,21)22)10(5-23)6-27-17(9)18(29)28-11-2-3-13(24)12(4-11)16(25)14-7-26-8-30-14;;/h2-4,6-8,25H,24H2,1H3,(H,28,29);2*1H/b25-16-;;
InChIKeyIYRURRZTVQQGMJ-DSHYBBOZSA-N
MW418.38 g/mol
LogP4.01
Rot. Bonds4

About N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen

N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen (PubChem CID 155574812) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
PubChem CID155574812
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC NameN-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
SMILES[H]/N=C(\c1cnco1)c1cc(NC(=O)c2ncc(C#N)c(C(F)(F)F)c2C)ccc1N.[H][H].[H][H]
InChIInChI=1S/C19H13F3N6O2.2H2/c1-9-15(19(20,21)22)10(5-23)6-27-17(9)18(29)28-11-2-3-13(24)12(4-11)16(25)14-7-26-8-30-14;;/h2-4,6-8,25H,24H2,1H3,(H,28,29);2*1H/b25-16-;;
InChIKeyIYRURRZTVQQGMJ-DSHYBBOZSA-N
XLogP4.01
TPSA141.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.01
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-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482169
N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide
CID 155481751
N-[4-amino-3-[(E)-4,4,4-trifluorobut-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155574887
N-[4-amino-3-(1-methyl-2-oxopyridine-3-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482657
N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide
CID 155482075
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 155482677
N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482723
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-chloro-5-cyanopyridine-2-carboxamide
CID 155481986
N-[4-amino-3-[(E)-3-cyclopropylprop-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155481752
N-[4-amino-3-(5-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482084
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide
CID 155481992
N-[4-amino-3-(3-cyclopropylbenzenecarboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482000

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen (CID 155574812) is N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen is [H]/N=C(\c1cnco1)c1cc(NC(=O)c2ncc(C#N)c(C(F)(F)F)c2C)ccc1N.[H][H].[H][H].
What is the InChIKey of N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen?
The InChIKey is IYRURRZTVQQGMJ-DSHYBBOZSA-N. The full InChI is InChI=1S/C19H13F3N6O2.2H2/c1-9-15(19(20,21)22)10(5-23)6-27-17(9)18(29)28-11-2-3-13(24)12(4-11)16(25)14-7-26-8-30-14;;/h2-4,6-8,25H,24H2,1H3,(H,28,29);2*1H/b25-16-;;.
What are the key properties of N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen?
N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen has a molecular weight of 418.38 g/mol, XLogP of 4.01, 4 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]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 155574812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).