N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide

C18H20N8O — CID 155482241

IUPACN-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide
SMILES[H]/N=C(C(\N)=C\N(C)N)/c1cc(NC(=O)c2ncc(C#N)cc2C)ccc1N
InChIInChI=1S/C18H20N8O/c1-10-5-11(7-19)8-24-17(10)18(27)25-12-3-4-14(20)13(6-12)16(22)15(21)9-26(2)23/h3-6,8-9,22H,20-21,23H2,1-2H3,(H,25,27)/b15-9-,22-16-
InChIKeyUHEGXZFDORELSC-OWTFEBCNSA-N
MW364.41 g/mol
LogP1.07
Rot. Bonds5

About N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide

N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide (PubChem CID 155482241) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide
PubChem CID155482241
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC NameN-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide
SMILES[H]/N=C(C(\N)=C\N(C)N)/c1cc(NC(=O)c2ncc(C#N)cc2C)ccc1N
InChIInChI=1S/C18H20N8O/c1-10-5-11(7-19)8-24-17(10)18(27)25-12-3-4-14(20)13(6-12)16(22)15(21)9-26(2)23/h3-6,8-9,22H,20-21,23H2,1-2H3,(H,25,27)/b15-9-,22-16-
InChIKeyUHEGXZFDORELSC-OWTFEBCNSA-N
XLogP1.07
TPSA170.93 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-(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-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide
CID 155482411
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
2-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]-4-nitroaniline
CID 155482293
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-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 155482677
N-[4-amino-3-[(E)-3-cyclopropylprop-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155481752
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-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
CID 155481757

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide (CID 155482241) is N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide is [H]/N=C(C(\N)=C\N(C)N)/c1cc(NC(=O)c2ncc(C#N)cc2C)ccc1N.
What is the InChIKey of N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide?
The InChIKey is UHEGXZFDORELSC-OWTFEBCNSA-N. The full InChI is InChI=1S/C18H20N8O/c1-10-5-11(7-19)8-24-17(10)18(27)25-12-3-4-14(20)13(6-12)16(22)15(21)9-26(2)23/h3-6,8-9,22H,20-21,23H2,1-2H3,(H,25,27)/b15-9-,22-16-.
What are the key properties of N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide?
N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.07, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 155482241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).