3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile

C11H14ClN3 — CID 79841476

IUPAC3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ccncc1Cl
InChIInChI=1S/C11H14ClN3/c1-3-15(8-9(2)6-13)11-4-5-14-7-10(11)12/h4-5,7,9H,3,8H2,1-2H3
InChIKeyKJOVUBPONXHRGR-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.72
Rot. Bonds4

About 3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile

3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile (PubChem CID 79841476) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile
PubChem CID79841476
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ccncc1Cl
InChIInChI=1S/C11H14ClN3/c1-3-15(8-9(2)6-13)11-4-5-14-7-10(11)12/h4-5,7,9H,3,8H2,1-2H3
InChIKeyKJOVUBPONXHRGR-UHFFFAOYSA-N
XLogP2.72
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-aminoisoquinolin-6-yl)-ethylamino]-2-methylpropanenitrile
CID 106947873
3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanethioamide
CID 79841085
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
N-butyl-3-chloro-N-ethylpyridin-4-amine
CID 133352222
2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol
CID 79770158
3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine
CID 79841040
3-[(3-chloro-4-pyridinyl)-ethylamino]propanethioamide
CID 79841086
3-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 54988188
3-[N-ethyl-2-fluoro-4-[(1S)-1-hydroxyethyl]anilino]-2-methylpropanenitrile
CID 55183748
3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile
CID 83065176
N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 79840509
3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile
CID 54988672

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile (CID 79841476) is 3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1ccncc1Cl.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile?
The InChIKey is KJOVUBPONXHRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-3-15(8-9(2)6-13)11-4-5-14-7-10(11)12/h4-5,7,9H,3,8H2,1-2H3.
What are the key properties of 3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile?
3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile has a molecular weight of 223.71 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 79841476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).