4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol

C19H25N3O — CID 44532117

IUPAC4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol
SMILESCc1cc(-c2ccc(O)c(CNC3CCCCC3)c2)cnc1N
InChIInChI=1S/C19H25N3O/c1-13-9-15(11-22-19(13)20)14-7-8-18(23)16(10-14)12-21-17-5-3-2-4-6-17/h7-11,17,21,23H,2-6,12H2,1H3,(H2,20,22)
InChIKeyJBGZVCNGAFNORC-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.77
Rot. Bonds4

About 4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol

4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol (PubChem CID 44532117) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol.

Molecular Properties

Compound Name4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol
PubChem CID44532117
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol
SMILESCc1cc(-c2ccc(O)c(CNC3CCCCC3)c2)cnc1N
InChIInChI=1S/C19H25N3O/c1-13-9-15(11-22-19(13)20)14-7-8-18(23)16(10-14)12-21-17-5-3-2-4-6-17/h7-11,17,21,23H,2-6,12H2,1H3,(H2,20,22)
InChIKeyJBGZVCNGAFNORC-UHFFFAOYSA-N
XLogP3.77
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol?
The IUPAC name of 4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol (CID 44532117) is 4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol.
What is the SMILES notation for 4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol?
The canonical SMILES for 4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol is Cc1cc(-c2ccc(O)c(CNC3CCCCC3)c2)cnc1N.
What is the InChIKey of 4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol?
The InChIKey is JBGZVCNGAFNORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13-9-15(11-22-19(13)20)14-7-8-18(23)16(10-14)12-21-17-5-3-2-4-6-17/h7-11,17,21,23H,2-6,12H2,1H3,(H2,20,22).
What are the key properties of 4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol?
4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol has a molecular weight of 311.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol is sourced from PubChem (CID 44532117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).