6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile

C10H12N2O — CID 73200523

IUPAC6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile
SMILESCCCC1=CC(C)=NC(=O)C1C#N
InChIInChI=1S/C10H12N2O/c1-3-4-8-5-7(2)12-10(13)9(8)6-11/h5,9H,3-4H2,1-2H3
InChIKeyIMFSVXDDTYEYOS-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.85
Rot. Bonds2

About 6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile

6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile (PubChem CID 73200523) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile
PubChem CID73200523
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile
SMILESCCCC1=CC(C)=NC(=O)C1C#N
InChIInChI=1S/C10H12N2O/c1-3-4-8-5-7(2)12-10(13)9(8)6-11/h5,9H,3-4H2,1-2H3
InChIKeyIMFSVXDDTYEYOS-UHFFFAOYSA-N
XLogP1.85
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile
CID 45074666
3-ethyl-6-methyl-3H-pyridin-2-one
CID 76844676
3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one
CID 130120273
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cycloheptane-1-carbonitrile
CID 135932244
3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine
CID 146400022
(4Z,6R,9aS)-5-butyl-3,6-dimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulene-2,8-dione
CID 102013480
4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile
CID 142860669
(4S)-3,4-dipropylcyclohex-2-en-1-one
CID 155930761
5-methyl-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]-1H-imidazole-2-carbonitrile
CID 71113075
6-ethyl-5-methylidene-2-oxopyridine-3-carbonitrile
CID 178185866
3-methoxy-2-methyl-5-propylbicyclo[4.1.0]hepta-2,4-diene
CID 170792133
2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one
CID 53389372

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile (CID 73200523) is 6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile is CCCC1=CC(C)=NC(=O)C1C#N.
What is the InChIKey of 6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile?
The InChIKey is IMFSVXDDTYEYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-4-8-5-7(2)12-10(13)9(8)6-11/h5,9H,3-4H2,1-2H3.
What are the key properties of 6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile?
6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-propyl-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 73200523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).