(Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine

C22H26N6O — CID 144820253

IUPAC(Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine
SMILESCOc1ccc(N(N)/C=C(\N)CN(Cc2ccccn2)Cc2ccccn2)cc1
InChIInChI=1S/C22H26N6O/c1-29-22-10-8-21(9-11-22)28(24)15-18(23)14-27(16-19-6-2-4-12-25-19)17-20-7-3-5-13-26-20/h2-13,15H,14,16-17,23-24H2,1H3/b18-15-
InChIKeyLFKGMIDKBJONKH-SDXDJHTJSA-N
MW390.49 g/mol
LogP2.67
Rot. Bonds9

About (Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine

(Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine (PubChem CID 144820253) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is (Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine
PubChem CID144820253
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name(Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine
SMILESCOc1ccc(N(N)/C=C(\N)CN(Cc2ccccn2)Cc2ccccn2)cc1
InChIInChI=1S/C22H26N6O/c1-29-22-10-8-21(9-11-22)28(24)15-18(23)14-27(16-19-6-2-4-12-25-19)17-20-7-3-5-13-26-20/h2-13,15H,14,16-17,23-24H2,1H3/b18-15-
InChIKeyLFKGMIDKBJONKH-SDXDJHTJSA-N
XLogP2.67
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[amino-[(Z)-2-amino-3-[bis(pyridin-2-ylmethyl)amino]prop-1-enyl]amino]phenyl]acetaldehyde;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;prop-1-ene
CID 172578926
2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
CID 111116702
(4R,5R)-6-[[amino-[(Z)-2-amino-3-[bis(pyridin-2-ylmethyl)amino]prop-1-enyl]amino]methyl]oxane-2,4,5-triol
CID 172578853
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
ethyl 2-[4-[[(Z)-2-amino-3-[bis(pyridin-2-ylmethyl)amino]prop-1-enyl]amino]phenyl]acetate
CID 134274909
2-[bis(pyridin-2-ylmethyl)amino]ethanedithioic acid
CID 140748007
N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46994572
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 110245160
methyl (2R)-2-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]propanoyl]amino]propanoate
CID 118001065

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine?
The IUPAC name of (Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine (CID 144820253) is (Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine?
The canonical SMILES for (Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine is COc1ccc(N(N)/C=C(\N)CN(Cc2ccccn2)Cc2ccccn2)cc1.
What is the InChIKey of (Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine?
The InChIKey is LFKGMIDKBJONKH-SDXDJHTJSA-N. The full InChI is InChI=1S/C22H26N6O/c1-29-22-10-8-21(9-11-22)28(24)15-18(23)14-27(16-19-6-2-4-12-25-19)17-20-7-3-5-13-26-20/h2-13,15H,14,16-17,23-24H2,1H3/b18-15-.
What are the key properties of (Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine?
(Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine has a molecular weight of 390.49 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(N-amino-4-methoxyanilino)-1-N,1-N-bis(pyridin-2-ylmethyl)prop-2-ene-1,2-diamine is sourced from PubChem (CID 144820253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).