6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile

C19H17N3OS — CID 58878931

IUPAC6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(CNCCc3cccs3)cc2)nc1
InChIInChI=1S/C19H17N3OS/c20-12-16-5-8-19(22-14-16)23-17-6-3-15(4-7-17)13-21-10-9-18-2-1-11-24-18/h1-8,11,14,21H,9-10,13H2
InChIKeySQGYVGJUCQRMDY-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.14
Rot. Bonds7

About 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile

6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile (PubChem CID 58878931) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile
PubChem CID58878931
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(CNCCc3cccs3)cc2)nc1
InChIInChI=1S/C19H17N3OS/c20-12-16-5-8-19(22-14-16)23-17-6-3-15(4-7-17)13-21-10-9-18-2-1-11-24-18/h1-8,11,14,21H,9-10,13H2
InChIKeySQGYVGJUCQRMDY-UHFFFAOYSA-N
XLogP4.14
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-[[(4-fluorophenyl)methylamino]methyl]-2-pyridinyl]oxy]benzamide;4-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]oxy]benzamide;4-[[5-[(2-thiophen-2-ylethylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 87559634
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbonitrile
CID 43244931
N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine
CID 141084653
6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
CID 68746402
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea
CID 60610907
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide
CID 100625400
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62598944
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
2-(3,4-dimethoxyphenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4715931
2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 132902601

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile (CID 58878931) is 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile is N#Cc1ccc(Oc2ccc(CNCCc3cccs3)cc2)nc1.
What is the InChIKey of 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile?
The InChIKey is SQGYVGJUCQRMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c20-12-16-5-8-19(22-14-16)23-17-6-3-15(4-7-17)13-21-10-9-18-2-1-11-24-18/h1-8,11,14,21H,9-10,13H2.
What are the key properties of 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile?
6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile has a molecular weight of 335.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 58878931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).