N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine

C16H17N5 — CID 66418244

IUPACN-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1nccn1-c1ncccc1NCc1ccccc1N
InChIInChI=1S/C16H17N5/c1-12-18-9-10-21(12)16-15(7-4-8-19-16)20-11-13-5-2-3-6-14(13)17/h2-10,20H,11,17H2,1H3
InChIKeyYGYFIIVOHICDCZ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.77
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine

N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine (PubChem CID 66418244) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine
PubChem CID66418244
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1nccn1-c1ncccc1NCc1ccccc1N
InChIInChI=1S/C16H17N5/c1-12-18-9-10-21(12)16-15(7-4-8-19-16)20-11-13-5-2-3-6-14(13)17/h2-10,20H,11,17H2,1H3
InChIKeyYGYFIIVOHICDCZ-UHFFFAOYSA-N
XLogP2.77
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 66386178
2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 60942621
N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 66384847
2-(2-methylimidazol-1-yl)-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 60944674
2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine
CID 62741938
2-(2-methylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-3-amine
CID 60942995
N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60945336
N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 54863456
2-(2-methylimidazol-1-yl)-N-(3-methylsulfanylpropyl)pyridin-3-amine
CID 54863468
2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol
CID 81419902
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 47254863
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293470

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine (CID 66418244) is N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine is Cc1nccn1-c1ncccc1NCc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The InChIKey is YGYFIIVOHICDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-18-9-10-21(12)16-15(7-4-8-19-16)20-11-13-5-2-3-6-14(13)17/h2-10,20H,11,17H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine?
N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine has a molecular weight of 279.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 66418244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).