2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide

C14H15N5O — CID 153364734

IUPAC2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide
SMILES[H]/N=C(\C(=O)Nc1ccc(C)nc1)c1cc(N)ccc1N
InChIInChI=1S/C14H15N5O/c1-8-2-4-10(7-18-8)19-14(20)13(17)11-6-9(15)3-5-12(11)16/h2-7,17H,15-16H2,1H3,(H,19,20)/b17-13-
InChIKeyACAWSMNEHGJXFO-LGMDPLHJSA-N
MW269.31 g/mol
LogP1.56
Rot. Bonds3

About 2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide

2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide (PubChem CID 153364734) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide
PubChem CID153364734
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide
SMILES[H]/N=C(\C(=O)Nc1ccc(C)nc1)c1cc(N)ccc1N
InChIInChI=1S/C14H15N5O/c1-8-2-4-10(7-18-8)19-14(20)13(17)11-6-9(15)3-5-12(11)16/h2-7,17H,15-16H2,1H3,(H,19,20)/b17-13-
InChIKeyACAWSMNEHGJXFO-LGMDPLHJSA-N
XLogP1.56
TPSA117.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.56
H-Bond Donors ≤ 54
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

5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 114046022
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
2-[2-amino-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]phenyl]-2-imino-N-[6-(methylsulfonimidoyl)-3-pyridinyl]acetamide
CID 156577892
2-[2-amino-5-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]-2-imino-N-pyridin-3-ylacetamide
CID 123817839
3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide
CID 107121288
N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide
CID 82861470
5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 114407286
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide
CID 108859903
2-chloro-5-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 106502027
2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 62989638
2-fluoro-4-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 107676762
2-[2-amino-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-N-(6-cycloheptyl-3-pyridinyl)-2-iminoacetamide
CID 123585940

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide (CID 153364734) is 2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide is [H]/N=C(\C(=O)Nc1ccc(C)nc1)c1cc(N)ccc1N.
What is the InChIKey of 2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is ACAWSMNEHGJXFO-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8-2-4-10(7-18-8)19-14(20)13(17)11-6-9(15)3-5-12(11)16/h2-7,17H,15-16H2,1H3,(H,19,20)/b17-13-.
What are the key properties of 2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide?
2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 269.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diaminophenyl)-2-imino-N-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 153364734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).