2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine

C16H21N3O — CID 106262665

IUPAC2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine
SMILESCCNc1cc(NCCc2ccccc2OC)ccn1
InChIInChI=1S/C16H21N3O/c1-3-17-16-12-14(9-11-19-16)18-10-8-13-6-4-5-7-15(13)20-2/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,17,18,19)
InChIKeyILKUPNWWVSOEFY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.18
Rot. Bonds7

About 2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine

2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine (PubChem CID 106262665) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine
PubChem CID106262665
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine
SMILESCCNc1cc(NCCc2ccccc2OC)ccn1
InChIInChI=1S/C16H21N3O/c1-3-17-16-12-14(9-11-19-16)18-10-8-13-6-4-5-7-15(13)20-2/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,17,18,19)
InChIKeyILKUPNWWVSOEFY-UHFFFAOYSA-N
XLogP3.18
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 106262726
N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine
CID 114841089
N-[2-(2-methoxyphenyl)ethyl]naphthalen-2-amine
CID 106261920
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 109210892
N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109214267
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
N-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214357
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 55045486
N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172803

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine (CID 106262665) is 2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine is CCNc1cc(NCCc2ccccc2OC)ccn1.
What is the InChIKey of 2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine?
The InChIKey is ILKUPNWWVSOEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-17-16-12-14(9-11-19-16)18-10-8-13-6-4-5-7-15(13)20-2/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine?
2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine has a molecular weight of 271.36 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine is sourced from PubChem (CID 106262665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).