4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine

C14H18N4O — CID 61373121

IUPAC4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine
SMILESCC(C)Oc1ncccc1CNc1ccncc1N
InChIInChI=1S/C14H18N4O/c1-10(2)19-14-11(4-3-6-17-14)8-18-13-5-7-16-9-12(13)15/h3-7,9-10H,8,15H2,1-2H3,(H,16,18)
InChIKeyFVYNORHZEGUHQX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds5

About 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine

4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine (PubChem CID 61373121) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine
PubChem CID61373121
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine
SMILESCC(C)Oc1ncccc1CNc1ccncc1N
InChIInChI=1S/C14H18N4O/c1-10(2)19-14-11(4-3-6-17-14)8-18-13-5-7-16-9-12(13)15/h3-7,9-10H,8,15H2,1-2H3,(H,16,18)
InChIKeyFVYNORHZEGUHQX-UHFFFAOYSA-N
XLogP2.46
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine (CID 61373121) is 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine is CC(C)Oc1ncccc1CNc1ccncc1N.
What is the InChIKey of 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine?
The InChIKey is FVYNORHZEGUHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)19-14-11(4-3-6-17-14)8-18-13-5-7-16-9-12(13)15/h3-7,9-10H,8,15H2,1-2H3,(H,16,18).
What are the key properties of 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine?
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 61373121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).