N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide

C15H18N4O — CID 82331694

IUPACN-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNc2ccc(N)nc2)cc1
InChIInChI=1S/C15H18N4O/c1-11-2-4-12(5-3-11)15(20)18-9-8-17-13-6-7-14(16)19-10-13/h2-7,10,17H,8-9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyZWCPHJUZBJVIHB-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.81
Rot. Bonds5

About N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide

N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide (PubChem CID 82331694) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide
PubChem CID82331694
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNc2ccc(N)nc2)cc1
InChIInChI=1S/C15H18N4O/c1-11-2-4-12(5-3-11)15(20)18-9-8-17-13-6-7-14(16)19-10-13/h2-7,10,17H,8-9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyZWCPHJUZBJVIHB-UHFFFAOYSA-N
XLogP1.81
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide
CID 82331662
4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045
3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83116884
N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119515441
N-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethyl]-4-methylbenzamide
CID 116795563
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
6-amino-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62313054

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide (CID 82331694) is N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNc2ccc(N)nc2)cc1.
What is the InChIKey of N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is ZWCPHJUZBJVIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-2-4-12(5-3-11)15(20)18-9-8-17-13-6-7-14(16)19-10-13/h2-7,10,17H,8-9H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 270.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 82331694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).