3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine

C17H22N4 — CID 104534517

IUPAC3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C17H22N4/c1-2-19-15-11-16(13-18-12-15)20-14-5-7-17(8-6-14)21-9-3-4-10-21/h5-8,11-13,19-20H,2-4,9-10H2,1H3
InChIKeySMZQDQBRJZLOQQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.86
Rot. Bonds5

About 3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine

3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine (PubChem CID 104534517) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
PubChem CID104534517
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C17H22N4/c1-2-19-15-11-16(13-18-12-15)20-14-5-7-17(8-6-14)21-9-3-4-10-21/h5-8,11-13,19-20H,2-4,9-10H2,1H3
InChIKeySMZQDQBRJZLOQQ-UHFFFAOYSA-N
XLogP3.86
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
CID 104532249
3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine
CID 104532189
5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261
N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109229226
N-[3-(dimethylamino)propyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109229852
(4-methylpiperidin-1-yl)-[5-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109227138
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109228509
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine (CID 104534517) is 3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine is CCNc1cncc(Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine?
The InChIKey is SMZQDQBRJZLOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-19-15-11-16(13-18-12-15)20-14-5-7-17(8-6-14)21-9-3-4-10-21/h5-8,11-13,19-20H,2-4,9-10H2,1H3.
What are the key properties of 3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine?
3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine is sourced from PubChem (CID 104534517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).