(2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile

C10H15N3 — CID 820736

IUPAC(2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
SMILESCC1=CC(C)=C(C#N)[C@H](N(C)C)N1
InChIInChI=1S/C10H15N3/c1-7-5-8(2)12-10(13(3)4)9(7)6-11/h5,10,12H,1-4H3/t10-/m0/s1
InChIKeyHMBVDRSQSDRQPN-JTQLQIEISA-N
MW177.25 g/mol
LogP1.22
Rot. Bonds1

About (2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile

(2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile (PubChem CID 820736) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
PubChem CID820736
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
SMILESCC1=CC(C)=C(C#N)[C@H](N(C)C)N1
InChIInChI=1S/C10H15N3/c1-7-5-8(2)12-10(13(3)4)9(7)6-11/h5,10,12H,1-4H3/t10-/m0/s1
InChIKeyHMBVDRSQSDRQPN-JTQLQIEISA-N
XLogP1.22
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-cyano-2-hydroxy-6-methyl-1,2-dihydropyridine-4-carboxylate
CID 167440087
(2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile
CID 51703716
1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile
CID 12765375
2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 3630864
4-[[2-[ethyl(methyl)amino]-5-methyl-6-oxo-1H-pyrimidin-4-yl]sulfonyl]-3,5-difluorobenzonitrile
CID 135421274
ethyl 5-cyano-4-[3-(dimethylamino)phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate
CID 10131469
4-methyl-6-oxo-2-sulfanyl-2,3-dihydro-1H-pyridine-3-carbonitrile
CID 88963134
3-fluoro-4-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 79719509
2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 125142314
4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 4073554
4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143512
4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 2863211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
The IUPAC name of (2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile (CID 820736) is (2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile.
What is the SMILES notation for (2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
The canonical SMILES for (2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile is CC1=CC(C)=C(C#N)[C@H](N(C)C)N1.
What is the InChIKey of (2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
The InChIKey is HMBVDRSQSDRQPN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15N3/c1-7-5-8(2)12-10(13(3)4)9(7)6-11/h5,10,12H,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
(2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile has a molecular weight of 177.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 820736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).