5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile

C12H11ClN4S — CID 54954353

IUPAC5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncc(N)cc1C#N)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClN4S/c1-7(10-2-3-11(13)18-10)17-12-8(5-14)4-9(15)6-16-12/h2-4,6-7H,15H2,1H3,(H,16,17)
InChIKeyFMIXVYSVAYWCKR-UHFFFAOYSA-N
MW278.77 g/mol
LogP3.42
Rot. Bonds3

About 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile

5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 54954353) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID54954353
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncc(N)cc1C#N)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClN4S/c1-7(10-2-3-11(13)18-10)17-12-8(5-14)4-9(15)6-16-12/h2-4,6-7H,15H2,1H3,(H,16,17)
InChIKeyFMIXVYSVAYWCKR-UHFFFAOYSA-N
XLogP3.42
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 60922622
6-[1-(5-chlorothiophen-2-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103471427
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468919
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 104716465
6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
CID 55025215
5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile
CID 83177474
3-amino-4-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 54955056
4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
CID 55209675
5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 62118812
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine
CID 80653466
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63541342

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile (CID 54954353) is 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile is CC(Nc1ncc(N)cc1C#N)c1ccc(Cl)s1.
What is the InChIKey of 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is FMIXVYSVAYWCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c1-7(10-2-3-11(13)18-10)17-12-8(5-14)4-9(15)6-16-12/h2-4,6-7H,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile?
5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 278.77 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 54954353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).