6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine

C14H18N4O — CID 43261223

IUPAC6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
SMILESCCCOc1nc(NCc2cccnc2)ccc1N
InChIInChI=1S/C14H18N4O/c1-2-8-19-14-12(15)5-6-13(18-14)17-10-11-4-3-7-16-9-11/h3-7,9H,2,8,10,15H2,1H3,(H,17,18)
InChIKeyVZGKOXXXKWVCOK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds6

About 6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine

6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 43261223) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
PubChem CID43261223
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
SMILESCCCOc1nc(NCc2cccnc2)ccc1N
InChIInChI=1S/C14H18N4O/c1-2-8-19-14-12(15)5-6-13(18-14)17-10-11-4-3-7-16-9-11/h3-7,9H,2,8,10,15H2,1H3,(H,17,18)
InChIKeyVZGKOXXXKWVCOK-UHFFFAOYSA-N
XLogP2.46
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

6-propoxy-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 60895722
6-ethoxy-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 60896057
6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773060
2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82456280
2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine
CID 81170070
6-ethoxy-2-N-[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 61028652
2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine
CID 62229237
methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate
CID 43261097
6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 114954533
2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
CID 55232938
2-[2-[(5-amino-6-propoxy-2-pyridinyl)amino]ethoxy]acetamide
CID 106234525
6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 79224387

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine (CID 43261223) is 6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine is CCCOc1nc(NCc2cccnc2)ccc1N.
What is the InChIKey of 6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is VZGKOXXXKWVCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-8-19-14-12(15)5-6-13(18-14)17-10-11-4-3-7-16-9-11/h3-7,9H,2,8,10,15H2,1H3,(H,17,18).
What are the key properties of 6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 43261223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).