2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile

C17H20N4S — CID 49227412

IUPAC2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C17H20N4S/c18-10-15-5-1-7-19-17(15)20-11-14-4-2-8-21(12-14)13-16-6-3-9-22-16/h1,3,5-7,9,14H,2,4,8,11-13H2,(H,19,20)
InChIKeySKQNHAWNUAFRRQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.34
Rot. Bonds5

About 2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile

2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 49227412) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID49227412
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C17H20N4S/c18-10-15-5-1-7-19-17(15)20-11-14-4-2-8-21(12-14)13-16-6-3-9-22-16/h1,3,5-7,9,14H,2,4,8,11-13H2,(H,19,20)
InChIKeySKQNHAWNUAFRRQ-UHFFFAOYSA-N
XLogP3.34
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145917
2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95142455
2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95146122
1-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970535
2-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 115625296
1-cyclohexyl-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine
CID 110957380
2-[[(3S)-1-[(2-oxo-3H-1-benzofuran-6-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95143506
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine
CID 63388568
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 95144802
2-methyl-1-prop-2-ynyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 119149145

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile (CID 49227412) is 2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCC1CCCN(Cc2cccs2)C1.
What is the InChIKey of 2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is SKQNHAWNUAFRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c18-10-15-5-1-7-19-17(15)20-11-14-4-2-8-21(12-14)13-16-6-3-9-22-16/h1,3,5-7,9,14H,2,4,8,11-13H2,(H,19,20).
What are the key properties of 2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile?
2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 312.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 49227412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).