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

C20H18N6O2 — CID 155482169

IUPACN-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
SMILES[H]/N=C(\c1cnc(C)o1)c1cc(NC(=O)c2ncc(C#N)c(C)c2C)ccc1N
InChIInChI=1S/C20H18N6O2/c1-10-11(2)19(25-8-13(10)7-21)20(27)26-14-4-5-16(22)15(6-14)18(23)17-9-24-12(3)28-17/h4-6,8-9,23H,22H2,1-3H3,(H,26,27)/b23-18-
InChIKeyVZYBCIMYCVPXII-NKFKGCMQSA-N
MW374.40 g/mol
LogP3.12
Rot. Bonds4

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

N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide (PubChem CID 155482169) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
PubChem CID155482169
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
SMILES[H]/N=C(\c1cnc(C)o1)c1cc(NC(=O)c2ncc(C#N)c(C)c2C)ccc1N
InChIInChI=1S/C20H18N6O2/c1-10-11(2)19(25-8-13(10)7-21)20(27)26-14-4-5-16(22)15(6-14)18(23)17-9-24-12(3)28-17/h4-6,8-9,23H,22H2,1-3H3,(H,26,27)/b23-18-
InChIKeyVZYBCIMYCVPXII-NKFKGCMQSA-N
XLogP3.12
TPSA141.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.12
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-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]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
CID 155574812
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-[(E)-3-cyclopropylprop-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155481752
N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482723
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-4-cyano-1,3-dimethylpyrrole-2-carboxamide
CID 155575010
N-[4-amino-3-(3-cyclopropylbenzenecarboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482000
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
5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide
CID 155482263
8-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)anilino]-2-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 156850731
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-chloro-5-cyanopyridine-2-carboxamide
CID 155481986

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide (CID 155482169) is N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide is [H]/N=C(\c1cnc(C)o1)c1cc(NC(=O)c2ncc(C#N)c(C)c2C)ccc1N.
What is the InChIKey of N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide?
The InChIKey is VZYBCIMYCVPXII-NKFKGCMQSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-10-11(2)19(25-8-13(10)7-21)20(27)26-14-4-5-16(22)15(6-14)18(23)17-9-24-12(3)28-17/h4-6,8-9,23H,22H2,1-3H3,(H,26,27)/b23-18-.
What are the key properties of N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide?
N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.12, 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-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 155482169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).