N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine

C20H21N5 — CID 145002545

IUPACN-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine
SMILES[H]/N=C/c1ccc(-c2cccc(C(C)N)n2)cc1Nc1cccc(C)n1
InChIInChI=1S/C20H21N5/c1-13-5-3-8-20(23-13)25-19-11-15(9-10-16(19)12-21)18-7-4-6-17(24-18)14(2)22/h3-12,14,21H,22H2,1-2H3,(H,23,25)/b21-12+
InChIKeySZVROTKGFGQJPM-CIAFOILYSA-N
MW331.42 g/mol
LogP4.21
Rot. Bonds5

About N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine

N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine (PubChem CID 145002545) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine
PubChem CID145002545
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC NameN-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine
SMILES[H]/N=C/c1ccc(-c2cccc(C(C)N)n2)cc1Nc1cccc(C)n1
InChIInChI=1S/C20H21N5/c1-13-5-3-8-20(23-13)25-19-11-15(9-10-16(19)12-21)18-7-4-6-17(24-18)14(2)22/h3-12,14,21H,22H2,1-2H3,(H,23,25)/b21-12+
InChIKeySZVROTKGFGQJPM-CIAFOILYSA-N
XLogP4.21
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine
CID 145002319
N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane
CID 145002499
methyl 6-[5-(6-acetyl-2-pyridinyl)-2-methanimidoylanilino]pyridine-2-carboxylate
CID 145002388
[2-(acetamidomethyl)-4-[6-(1-aminoethyl)-2-pyridinyl]-6-[(6-methyl-2-pyridinyl)amino]phenyl]methylideneazanium
CID 145002281
1-[6-[4-methanimidoyl-3-[(1-methylimidazol-4-yl)amino]phenyl]-2-pyridinyl]ethanone
CID 145002617
(NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine
CID 145002618
1-[6-[4-methanimidoyl-3-[(6-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone
CID 145002592
1-[6-[3-(6-methyl-2-pyridinyl)imidazo[1,5-a]pyridin-6-yl]-2-pyridinyl]ethanamine
CID 118663706
2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline
CID 167217297
(1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine
CID 145002436
2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline
CID 155713746
4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 155713764

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine (CID 145002545) is N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine is [H]/N=C/c1ccc(-c2cccc(C(C)N)n2)cc1Nc1cccc(C)n1.
What is the InChIKey of N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine?
The InChIKey is SZVROTKGFGQJPM-CIAFOILYSA-N. The full InChI is InChI=1S/C20H21N5/c1-13-5-3-8-20(23-13)25-19-11-15(9-10-16(19)12-21)18-7-4-6-17(24-18)14(2)22/h3-12,14,21H,22H2,1-2H3,(H,23,25)/b21-12+.
What are the key properties of N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine?
N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine has a molecular weight of 331.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoylphenyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 145002545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).