6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine

C16H18FN3O — CID 43261152

IUPAC6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine
SMILESNc1ccc(NCc2ccccc2F)nc1OCC1CC1
InChIInChI=1S/C16H18FN3O/c17-13-4-2-1-3-12(13)9-19-15-8-7-14(18)16(20-15)21-10-11-5-6-11/h1-4,7-8,11H,5-6,9-10,18H2,(H,19,20)
InChIKeyCPKIWKOCQHBHNB-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.20
Rot. Bonds6

About 6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine

6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine (PubChem CID 43261152) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine
PubChem CID43261152
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine
SMILESNc1ccc(NCc2ccccc2F)nc1OCC1CC1
InChIInChI=1S/C16H18FN3O/c17-13-4-2-1-3-12(13)9-19-15-8-7-14(18)16(20-15)21-10-11-5-6-11/h1-4,7-8,11H,5-6,9-10,18H2,(H,19,20)
InChIKeyCPKIWKOCQHBHNB-UHFFFAOYSA-N
XLogP3.20
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine (CID 43261152) is 6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine is Nc1ccc(NCc2ccccc2F)nc1OCC1CC1.
What is the InChIKey of 6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine?
The InChIKey is CPKIWKOCQHBHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-13-4-2-1-3-12(13)9-19-15-8-7-14(18)16(20-15)21-10-11-5-6-11/h1-4,7-8,11H,5-6,9-10,18H2,(H,19,20).
What are the key properties of 6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine?
6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine has a molecular weight of 287.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-2-N-[(2-fluorophenyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 43261152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).