N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

C36H31N5S2 — CID 50901691

IUPACN-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1ccc(-c2ccc(/C=C/c3ccc(/C=C/c4ccc(CN(Cc5ccccn5)Cc5ccccn5)s4)s3)cn2)nc1
InChIInChI=1S/C36H31N5S2/c1-27-8-18-35(39-22-27)36-19-10-28(23-40-36)9-11-31-12-13-32(42-31)14-15-33-16-17-34(43-33)26-41(24-29-6-2-4-20-37-29)25-30-7-3-5-21-38-30/h2-23H,24-26H2,1H3/b11-9+,15-14+
InChIKeyPHBFTGBKBUIWNQ-KYUUQUQASA-N
MW597.81 g/mol
LogP8.91
Rot. Bonds11

About N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 50901691) has the molecular formula C36H31N5S2 and a molecular weight of 597.81 g/mol. Its IUPAC name is N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID50901691
Molecular FormulaC36H31N5S2
Molecular Weight597.81 g/mol
Exact Mass597.20
IUPAC NameN-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1ccc(-c2ccc(/C=C/c3ccc(/C=C/c4ccc(CN(Cc5ccccn5)Cc5ccccn5)s4)s3)cn2)nc1
InChIInChI=1S/C36H31N5S2/c1-27-8-18-35(39-22-27)36-19-10-28(23-40-36)9-11-31-12-13-32(42-31)14-15-33-16-17-34(43-33)26-41(24-29-6-2-4-20-37-29)25-30-7-3-5-21-38-30/h2-23H,24-26H2,1H3/b11-9+,15-14+
InChIKeyPHBFTGBKBUIWNQ-KYUUQUQASA-N
XLogP8.91
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.81
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine
CID 11210706
4,4',4'',4'''-(Thiene-2,3,4,5-tetrayl)tetrapyridine
CID 253078
(-)-(R)-2-(1-(2-(2-(pyrrolidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 11508317
1-Methyl-4-(2-thiophen-3-yl-pyridin-4-yl)-piperazine
CID 25218146
(3R)-3-[4-[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 89943698
(3R)-3-[4-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 89943765
3-(1-methyl-5-((1-methyl-5-(3-pyridinyl)-1H-pyrrol-2-yl)thio)-1H-pyrrol-2-yl)pyridine
CID 224958
2-Methyl-6-[(5-thien-2-ylpyridin-3-yl)ethynyl]pyridine
CID 44392452
N-[(5-ethylpyridin-2-yl)methyl]-N',N'-dimethyl-N-[(5-methyl-2-thienyl)methyl]ethane-1,2-diamine
CID 46990554
5-[5-(5-Carbamimidoylthiophen-2-yl)thiophen-2-yl]pyridine-2-carboximidamide;hydrochloride
CID 53321994

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 50901691) is N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is Cc1ccc(-c2ccc(/C=C/c3ccc(/C=C/c4ccc(CN(Cc5ccccn5)Cc5ccccn5)s4)s3)cn2)nc1.
What is the InChIKey of N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is PHBFTGBKBUIWNQ-KYUUQUQASA-N. The full InChI is InChI=1S/C36H31N5S2/c1-27-8-18-35(39-22-27)36-19-10-28(23-40-36)9-11-31-12-13-32(42-31)14-15-33-16-17-34(43-33)26-41(24-29-6-2-4-20-37-29)25-30-7-3-5-21-38-30/h2-23H,24-26H2,1H3/b11-9+,15-14+.
What are the key properties of N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 597.81 g/mol, XLogP of 8.91, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(E)-2-[5-[(E)-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 50901691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).