5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine

C17H19N3 — CID 142333928

IUPAC5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine
SMILESC=C(C)C(=C)c1cc(-c2cncc(N)c2)ccc1NC
InChIInChI=1S/C17H19N3/c1-11(2)12(3)16-8-13(5-6-17(16)19-4)14-7-15(18)10-20-9-14/h5-10,19H,1,3,18H2,2,4H3
InChIKeyCKQNQSOVGWOZJF-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.96
Rot. Bonds4

About 5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine

5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine (PubChem CID 142333928) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine
PubChem CID142333928
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine
SMILESC=C(C)C(=C)c1cc(-c2cncc(N)c2)ccc1NC
InChIInChI=1S/C17H19N3/c1-11(2)12(3)16-8-13(5-6-17(16)19-4)14-7-15(18)10-20-9-14/h5-10,19H,1,3,18H2,2,4H3
InChIKeyCKQNQSOVGWOZJF-UHFFFAOYSA-N
XLogP3.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine
CID 89219183
6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine
CID 142333772
N-[3-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2-(methylamino)phenyl]buta-1,3-dien-2-yl]-6-methylpyridin-3-amine;ethane
CID 142334013
5-(4-tert-butylphenyl)pyridin-3-amine
CID 25184245
N-[3-[5-(5-benzyl-3-pyridinyl)-2-(methylamino)phenyl]buta-1,3-dien-2-yl]-6-(pyrrolidin-1-ylmethyl)pyridin-3-amine
CID 142333171
2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2-(methylamino)phenyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide
CID 166774219
2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide
CID 134387946
4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine
CID 68788590
5-(5-amino-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 66793931
2-[2-(methylamino)-5-(5-phenoxy-3-pyridinyl)phenyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]prop-2-enamide
CID 166774329
5-(5-chloro-3-pyridinyl)pyridin-3-amine
CID 141394727
N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-2-[2-(methylamino)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-2-enamide
CID 166774304

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine?
The IUPAC name of 5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine (CID 142333928) is 5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine.
What is the SMILES notation for 5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine?
The canonical SMILES for 5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine is C=C(C)C(=C)c1cc(-c2cncc(N)c2)ccc1NC.
What is the InChIKey of 5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine?
The InChIKey is CKQNQSOVGWOZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11(2)12(3)16-8-13(5-6-17(16)19-4)14-7-15(18)10-20-9-14/h5-10,19H,1,3,18H2,2,4H3.
What are the key properties of 5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine?
5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine has a molecular weight of 265.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine is sourced from PubChem (CID 142333928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).