6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile

C18H23N3 — CID 43176199

IUPAC6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23N3/c1-12(21-17-3-2-13(10-19)11-20-17)18-7-14-4-15(8-18)6-16(5-14)9-18/h2-3,11-12,14-16H,4-9H2,1H3,(H,20,21)
InChIKeyQJVJJLAHMLTLSW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.97
Rot. Bonds3

About 6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile

6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 43176199) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile
PubChem CID43176199
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23N3/c1-12(21-17-3-2-13(10-19)11-20-17)18-7-14-4-15(8-18)6-16(5-14)9-18/h2-3,11-12,14-16H,4-9H2,1H3,(H,20,21)
InChIKeyQJVJJLAHMLTLSW-UHFFFAOYSA-N
XLogP3.97
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine
CID 63535938
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile
CID 80508739
N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
CID 7689203
6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile
CID 115659032
6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
CID 115643963
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63611566
N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine
CID 80911873
6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
CID 55025215
(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
CID 97236005

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile (CID 43176199) is 6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile is CC(Nc1ccc(C#N)cn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is QJVJJLAHMLTLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-12(21-17-3-2-13(10-19)11-20-17)18-7-14-4-15(8-18)6-16(5-14)9-18/h2-3,11-12,14-16H,4-9H2,1H3,(H,20,21).
What are the key properties of 6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile?
6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 281.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 43176199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).