6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid

C14H19N3O2 — CID 65284946

IUPAC6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNc1ccc(C#N)cn1)CCC(=O)O
InChIInChI=1S/C14H19N3O2/c1-14(2,6-5-13(18)19)7-8-16-12-4-3-11(9-15)10-17-12/h3-4,10H,5-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZFSMEYNKHYMCSN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.65
Rot. Bonds7

About 6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid

6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65284946) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65284946
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNc1ccc(C#N)cn1)CCC(=O)O
InChIInChI=1S/C14H19N3O2/c1-14(2,6-5-13(18)19)7-8-16-12-4-3-11(9-15)10-17-12/h3-4,10H,5-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZFSMEYNKHYMCSN-UHFFFAOYSA-N
XLogP2.65
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile
CID 70343808
2-[[(5-cyano-2-pyridinyl)amino]methyl]-2-ethylbutanoic acid
CID 113308560
[6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate
CID 67218178
6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile
CID 115628479
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789
2-[2-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81318485
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
3-[2-[(5-cyano-2-pyridinyl)amino]ethyl]benzoic acid
CID 63795126
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
6-[(6-chloropyrazin-2-yl)amino]-4,4-dimethylhexanoic acid
CID 114335451
6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 112685210

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid (CID 65284946) is 6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNc1ccc(C#N)cn1)CCC(=O)O.
What is the InChIKey of 6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is ZFSMEYNKHYMCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,6-5-13(18)19)7-8-16-12-4-3-11(9-15)10-17-12/h3-4,10H,5-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid?
6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65284946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).