3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile

C12H18N4 — CID 80806487

IUPAC3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile
SMILESCCNc1cccc(N(CC)CCC#N)n1
InChIInChI=1S/C12H18N4/c1-3-14-11-7-5-8-12(15-11)16(4-2)10-6-9-13/h5,7-8H,3-4,6,10H2,1-2H3,(H,14,15)
InChIKeyOPNVFILXPGFALJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.25
Rot. Bonds6

About 3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile

3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile (PubChem CID 80806487) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile
PubChem CID80806487
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile
SMILESCCNc1cccc(N(CC)CCC#N)n1
InChIInChI=1S/C12H18N4/c1-3-14-11-7-5-8-12(15-11)16(4-2)10-6-9-13/h5,7-8H,3-4,6,10H2,1-2H3,(H,14,15)
InChIKeyOPNVFILXPGFALJ-UHFFFAOYSA-N
XLogP2.25
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile
CID 80810300
6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998802
3-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80934943
2-N-ethyl-6-N,6-N-bis(2-methoxyethyl)pyridine-2,6-diamine
CID 80796516
2-[cyanomethyl-[6-(propylamino)-2-pyridinyl]amino]acetonitrile
CID 80753646
2-N,6-N-diethyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 80798911
6-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102998825
6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 80754350
2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine
CID 80846784
6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 80834417
6-N-ethyl-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
CID 80809532
2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine
CID 102997418

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile?
The IUPAC name of 3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile (CID 80806487) is 3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile?
The canonical SMILES for 3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile is CCNc1cccc(N(CC)CCC#N)n1.
What is the InChIKey of 3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile?
The InChIKey is OPNVFILXPGFALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-14-11-7-5-8-12(15-11)16(4-2)10-6-9-13/h5,7-8H,3-4,6,10H2,1-2H3,(H,14,15).
What are the key properties of 3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile?
3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile has a molecular weight of 218.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[6-(ethylamino)-2-pyridinyl]amino]propanenitrile is sourced from PubChem (CID 80806487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).