3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine

C16H17Cl2N3 — CID 107855385

IUPAC3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(NC2Cc3ccccc3C2)c(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3/c1-2-19-15-13(17)9-14(18)16(21-15)20-12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,2,7-8H2,1H3,(H2,19,20,21)
InChIKeyYFZDDVVVCISFFX-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.40
Rot. Bonds4

About 3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine

3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 107855385) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine
PubChem CID107855385
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(NC2Cc3ccccc3C2)c(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3/c1-2-19-15-13(17)9-14(18)16(21-15)20-12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,2,7-8H2,1H3,(H2,19,20,21)
InChIKeyYFZDDVVVCISFFX-UHFFFAOYSA-N
XLogP4.40
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine (CID 107855385) is 3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine is CCNc1nc(NC2Cc3ccccc3C2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is YFZDDVVVCISFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c1-2-19-15-13(17)9-14(18)16(21-15)20-12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,2,7-8H2,1H3,(H2,19,20,21).
What are the key properties of 3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine?
3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 322.24 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 107855385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).