5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile

C19H24N4S — CID 129002543

IUPAC5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile
SMILESCN(Cc1ccccn1)C1CCCN(Cc2cc(C#N)cs2)CC1
InChIInChI=1S/C19H24N4S/c1-22(13-17-5-2-3-8-21-17)18-6-4-9-23(10-7-18)14-19-11-16(12-20)15-24-19/h2-3,5,8,11,15,18H,4,6-7,9-10,13-14H2,1H3
InChIKeyGTIURDAKDIUGJC-UHFFFAOYSA-N
MW340.50 g/mol
LogP3.50
Rot. Bonds5

About 5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile

5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile (PubChem CID 129002543) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is 5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile
PubChem CID129002543
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile
SMILESCN(Cc1ccccn1)C1CCCN(Cc2cc(C#N)cs2)CC1
InChIInChI=1S/C19H24N4S/c1-22(13-17-5-2-3-8-21-17)18-6-4-9-23(10-7-18)14-19-11-16(12-20)15-24-19/h2-3,5,8,11,15,18H,4,6-7,9-10,13-14H2,1H3
InChIKeyGTIURDAKDIUGJC-UHFFFAOYSA-N
XLogP3.50
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-[(2-methoxyphenyl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129476025
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129007714
4-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]benzonitrile
CID 129343587
4-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 129474241
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451205
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 129477768
(3-methyl-1,2-oxazol-5-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
CID 128967603
(4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide
CID 129331309
2-methyl-1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-2-morpholin-4-ylpropan-1-one
CID 126815007

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile (CID 129002543) is 5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile is CN(Cc1ccccn1)C1CCCN(Cc2cc(C#N)cs2)CC1.
What is the InChIKey of 5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile?
The InChIKey is GTIURDAKDIUGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-22(13-17-5-2-3-8-21-17)18-6-4-9-23(10-7-18)14-19-11-16(12-20)15-24-19/h2-3,5,8,11,15,18H,4,6-7,9-10,13-14H2,1H3.
What are the key properties of 5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile?
5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile has a molecular weight of 340.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 129002543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).