3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile

C12H17N5S — CID 114173737

IUPAC3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCN2CCSCC2)c1N
InChIInChI=1S/C12H17N5S/c13-9-10-1-2-15-12(11(10)14)16-3-4-17-5-7-18-8-6-17/h1-2H,3-8,14H2,(H,15,16)
InChIKeyXJQCLDUVLJKJNB-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.00
Rot. Bonds4

About 3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile

3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile (PubChem CID 114173737) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile
PubChem CID114173737
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCN2CCSCC2)c1N
InChIInChI=1S/C12H17N5S/c13-9-10-1-2-15-12(11(10)14)16-3-4-17-5-7-18-8-6-17/h1-2H,3-8,14H2,(H,15,16)
InChIKeyXJQCLDUVLJKJNB-UHFFFAOYSA-N
XLogP1.00
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
2-(Piperazin-1-yl)pyridin-3-amine
CID 10397358
N-(4-methyl-2-pyridinyl)piperazine-1-carbothioamide
CID 49852996
6-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737184
2-(Piperazin-1-yl)pyridine-4-carbonitrile
CID 16227986
2-[(2-Aminoethyl)amino]pyridine-3-carbonitrile
CID 16767894
2-(4-Methylpiperazin-1-yl)pyridine-4-carbonitrile
CID 21029562
6-[(2-Aminoethyl)amino]pyridine-3-carbonitrile
CID 11369405
6-[(Piperidin-3-yl)amino]pyridine-3-carbonitrile
CID 57911769
2,3-Diaminopyridine-4-carbonitrile
CID 76899933
N-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]methanesulfonamide
CID 45817878
4-(4-cyano-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 45829697

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile (CID 114173737) is 3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCCN2CCSCC2)c1N.
What is the InChIKey of 3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile?
The InChIKey is XJQCLDUVLJKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c13-9-10-1-2-15-12(11(10)14)16-3-4-17-5-7-18-8-6-17/h1-2H,3-8,14H2,(H,15,16).
What are the key properties of 3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile?
3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile has a molecular weight of 263.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 114173737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).