N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide

C18H17N5O — CID 155482411

IUPACN-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide
SMILES[H]/N=C(\C)c1cc(NC(=O)c2ncc(C#N)cc2C(=C)C)ccc1N
InChIInChI=1S/C18H17N5O/c1-10(2)14-6-12(8-19)9-22-17(14)18(24)23-13-4-5-16(21)15(7-13)11(3)20/h4-7,9,20H,1,21H2,2-3H3,(H,23,24)/b20-11+
InChIKeyXEDUYXDBLQQRPN-RGVLZGJSSA-N
MW319.37 g/mol
LogP3.21
Rot. Bonds4

About N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide

N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide (PubChem CID 155482411) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide
PubChem CID155482411
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide
SMILES[H]/N=C(\C)c1cc(NC(=O)c2ncc(C#N)cc2C(=C)C)ccc1N
InChIInChI=1S/C18H17N5O/c1-10(2)14-6-12(8-19)9-22-17(14)18(24)23-13-4-5-16(21)15(7-13)11(3)20/h4-7,9,20H,1,21H2,2-3H3,(H,23,24)/b20-11+
InChIKeyXEDUYXDBLQQRPN-RGVLZGJSSA-N
XLogP3.21
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(oxetane-3-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482246
N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482241
N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482723
N-[4-amino-3-(6-methylpyridine-2-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155481963
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 155482677
N-[4-amino-3-(5-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482084
N-[4-amino-3-(3-cyclopropylbenzenecarboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482000
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-[(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-(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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide?
The IUPAC name of N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide (CID 155482411) is N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide is [H]/N=C(\C)c1cc(NC(=O)c2ncc(C#N)cc2C(=C)C)ccc1N.
What is the InChIKey of N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide?
The InChIKey is XEDUYXDBLQQRPN-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H17N5O/c1-10(2)14-6-12(8-19)9-22-17(14)18(24)23-13-4-5-16(21)15(7-13)11(3)20/h4-7,9,20H,1,21H2,2-3H3,(H,23,24)/b20-11+.
What are the key properties of N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide?
N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 155482411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).