6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile

C13H16N4O — CID 64668201

IUPAC6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C13H16N4O/c1-9-3-4-10(7-14)13(15-9)16-11-5-6-12(18)17(2)8-11/h3-4,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyHIDIBEHZIPLJOO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.29
Rot. Bonds2

About 6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile

6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 64668201) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile
PubChem CID64668201
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C13H16N4O/c1-9-3-4-10(7-14)13(15-9)16-11-5-6-12(18)17(2)8-11/h3-4,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyHIDIBEHZIPLJOO-UHFFFAOYSA-N
XLogP1.29
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 97003688
2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile
CID 64734058
4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 106833317
1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one
CID 64669994
5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64669439
2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile
CID 55135561
5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64669595
5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64669042
1-methyl-5-(2-methyl-5-nitroanilino)piperidin-2-one
CID 64667196
5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 80915009
5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one
CID 64669197
1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one
CID 79267253

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile (CID 64668201) is 6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(NC2CCC(=O)N(C)C2)n1.
What is the InChIKey of 6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is HIDIBEHZIPLJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-3-4-10(7-14)13(15-9)16-11-5-6-12(18)17(2)8-11/h3-4,11H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile?
6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 64668201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).