N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

C13H18N4O — CID 75388374

IUPACN-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1ccncc1NCc1ncc[nH]1
InChIInChI=1S/C13H18N4O/c1-13(2,3)18-11-4-5-14-8-10(11)17-9-12-15-6-7-16-12/h4-8,17H,9H2,1-3H3,(H,15,16)
InChIKeyLYRDMYDNODQWPK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.59
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (PubChem CID 75388374) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
PubChem CID75388374
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1ccncc1NCc1ncc[nH]1
InChIInChI=1S/C13H18N4O/c1-13(2,3)18-11-4-5-14-8-10(11)17-9-12-15-6-7-16-12/h4-8,17H,9H2,1-3H3,(H,15,16)
InChIKeyLYRDMYDNODQWPK-UHFFFAOYSA-N
XLogP2.59
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (CID 75388374) is N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is CC(C)(C)Oc1ccncc1NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The InChIKey is LYRDMYDNODQWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-13(2,3)18-11-4-5-14-8-10(11)17-9-12-15-6-7-16-12/h4-8,17H,9H2,1-3H3,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine has a molecular weight of 246.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 75388374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).