6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine

C22H22N4 — CID 142333772

IUPAC6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine
SMILESC=C(Nc1ccc(C)nc1)C(=C)c1cc(-c2cccnc2)ccc1NC
InChIInChI=1S/C22H22N4/c1-15-7-9-20(14-25-15)26-17(3)16(2)21-12-18(8-10-22(21)23-4)19-6-5-11-24-13-19/h5-14,23,26H,2-3H2,1,4H3
InChIKeyGGUUGHQKJJOZLE-UHFFFAOYSA-N
MW342.45 g/mol
LogP5.13
Rot. Bonds6

About 6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine

6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine (PubChem CID 142333772) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine
PubChem CID142333772
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine
SMILESC=C(Nc1ccc(C)nc1)C(=C)c1cc(-c2cccnc2)ccc1NC
InChIInChI=1S/C22H22N4/c1-15-7-9-20(14-25-15)26-17(3)16(2)21-12-18(8-10-22(21)23-4)19-6-5-11-24-13-19/h5-14,23,26H,2-3H2,1,4H3
InChIKeyGGUUGHQKJJOZLE-UHFFFAOYSA-N
XLogP5.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine with MolForge

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Related Compounds

N-[3-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2-(methylamino)phenyl]buta-1,3-dien-2-yl]-6-methylpyridin-3-amine;ethane
CID 142334013
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
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine
CID 144929207
N-methyl-4-pyridin-3-ylpyridin-2-amine
CID 56965171
5-[4-(methylamino)-3-(3-methylbuta-1,3-dien-2-yl)phenyl]pyridin-3-amine
CID 142333928
2-[2-(methylamino)-5-(5-phenoxy-3-pyridinyl)phenyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]prop-2-enamide
CID 166774329
1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol
CID 144572461
2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2-(methylamino)phenyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide
CID 166774219
2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine
CID 142333796
N-(6-methyl-3-pyridinyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362010
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine?
The IUPAC name of 6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine (CID 142333772) is 6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine.
What is the SMILES notation for 6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine?
The canonical SMILES for 6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine is C=C(Nc1ccc(C)nc1)C(=C)c1cc(-c2cccnc2)ccc1NC.
What is the InChIKey of 6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine?
The InChIKey is GGUUGHQKJJOZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-15-7-9-20(14-25-15)26-17(3)16(2)21-12-18(8-10-22(21)23-4)19-6-5-11-24-13-19/h5-14,23,26H,2-3H2,1,4H3.
What are the key properties of 6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine?
6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine has a molecular weight of 342.45 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine is sourced from PubChem (CID 142333772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).