3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine

C14H17N3 — CID 104532448

IUPAC3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine
SMILESCCNc1cncc(N(C)c2ccccc2)c1
InChIInChI=1S/C14H17N3/c1-3-16-12-9-14(11-15-10-12)17(2)13-7-5-4-6-8-13/h4-11,16H,3H2,1-2H3
InChIKeyKTEAKSHFOIHZNO-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.28
Rot. Bonds4

About 3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine

3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine (PubChem CID 104532448) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine
PubChem CID104532448
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine
SMILESCCNc1cncc(N(C)c2ccccc2)c1
InChIInChI=1S/C14H17N3/c1-3-16-12-9-14(11-15-10-12)17(2)13-7-5-4-6-8-13/h4-11,16H,3H2,1-2H3
InChIKeyKTEAKSHFOIHZNO-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine
CID 104534081
3-N-ethyl-5-N-(4-methoxyphenyl)-5-N-methylpyridine-3,5-diamine
CID 104534077
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine
CID 104533037
N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine
CID 104536114
3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine
CID 104533858
3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104532945
5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104531987
5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine
CID 104534905
N-ethyl-5-quinolin-3-yloxypyridin-3-amine
CID 107388436
5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine
CID 104534351
N-ethyl-5-(2-iodophenoxy)pyridin-3-amine
CID 104536566

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine (CID 104532448) is 3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine is CCNc1cncc(N(C)c2ccccc2)c1.
What is the InChIKey of 3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine?
The InChIKey is KTEAKSHFOIHZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-16-12-9-14(11-15-10-12)17(2)13-7-5-4-6-8-13/h4-11,16H,3H2,1-2H3.
What are the key properties of 3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine?
3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine is sourced from PubChem (CID 104532448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).