2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine

C21H23N5O — CID 163999010

IUPAC2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine
SMILES[H]/N=C(\C)c1ccccc1Nc1ccnc(Nc2cc(N)c(C)cc2OC)c1
InChIInChI=1S/C21H23N5O/c1-13-10-20(27-3)19(12-17(13)23)26-21-11-15(8-9-24-21)25-18-7-5-4-6-16(18)14(2)22/h4-12,22H,23H2,1-3H3,(H2,24,25,26)/b22-14+
InChIKeyUHGZRASZQKYPMX-HYARGMPZSA-N
MW361.45 g/mol
LogP4.86
Rot. Bonds6

About 2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine

2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine (PubChem CID 163999010) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine
PubChem CID163999010
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine
SMILES[H]/N=C(\C)c1ccccc1Nc1ccnc(Nc2cc(N)c(C)cc2OC)c1
InChIInChI=1S/C21H23N5O/c1-13-10-20(27-3)19(12-17(13)23)26-21-11-15(8-9-24-21)25-18-7-5-4-6-16(18)14(2)22/h4-12,22H,23H2,1-3H3,(H2,24,25,26)/b22-14+
InChIKeyUHGZRASZQKYPMX-HYARGMPZSA-N
XLogP4.86
TPSA96.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020929
2-N-(2-methoxyphenyl)-5-methylpyridine-2,4-diamine
CID 83265211
2-imino-2-[2-[(4-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 144793221
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173822
4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367654
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176191
2-N-(5-chloro-2,4-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173617
4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide
CID 62924493
2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide
CID 89162964
1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62912318
6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112866380

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine (CID 163999010) is 2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine is [H]/N=C(\C)c1ccccc1Nc1ccnc(Nc2cc(N)c(C)cc2OC)c1.
What is the InChIKey of 2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine?
The InChIKey is UHGZRASZQKYPMX-HYARGMPZSA-N. The full InChI is InChI=1S/C21H23N5O/c1-13-10-20(27-3)19(12-17(13)23)26-21-11-15(8-9-24-21)25-18-7-5-4-6-16(18)14(2)22/h4-12,22H,23H2,1-3H3,(H2,24,25,26)/b22-14+.
What are the key properties of 2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine?
2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine has a molecular weight of 361.45 g/mol, XLogP of 4.86, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-amino-2-methoxy-4-methylphenyl)-4-N-(2-ethanimidoylphenyl)pyridine-2,4-diamine is sourced from PubChem (CID 163999010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).