3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide

C18H19N3O3 — CID 12968693

IUPAC3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)C)cc1-c1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C18H19N3O3/c1-4-9-24-16-8-6-12(18(23)21(2)3)10-14(16)15-7-5-13(11-19)17(22)20-15/h5-8,10H,4,9H2,1-3H3,(H,20,22)
InChIKeyXYAKZAUBHWWNGM-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.40
Rot. Bonds5

About 3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide

3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide (PubChem CID 12968693) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide.

Molecular Properties

Compound Name3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide
PubChem CID12968693
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)C)cc1-c1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C18H19N3O3/c1-4-9-24-16-8-6-12(18(23)21(2)3)10-14(16)15-7-5-13(11-19)17(22)20-15/h5-8,10H,4,9H2,1-3H3,(H,20,22)
InChIKeyXYAKZAUBHWWNGM-UHFFFAOYSA-N
XLogP2.40
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-nitro-4-propoxybenzamide
CID 58723944
N,N-dimethyl-3-propoxybenzamide
CID 28639811
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate
CID 23167499
(3-cyano-4-propoxyphenyl)boronic acid
CID 53439493
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide
CID 55358457
3-(4-fluorophenyl)-4-propoxybenzoic acid
CID 134391719
3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide
CID 171138583
sodium 5-(3-cyano-4-propoxyphenyl)thiophene-2-carboxylate
CID 69010000
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973
N-(cyanomethyl)-N-methyl-3-propoxybenzamide
CID 62253083

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide?
The IUPAC name of 3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide (CID 12968693) is 3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide.
What is the SMILES notation for 3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide?
The canonical SMILES for 3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide is CCCOc1ccc(C(=O)N(C)C)cc1-c1ccc(C#N)c(=O)[nH]1.
What is the InChIKey of 3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide?
The InChIKey is XYAKZAUBHWWNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-4-9-24-16-8-6-12(18(23)21(2)3)10-14(16)15-7-5-13(11-19)17(22)20-15/h5-8,10H,4,9H2,1-3H3,(H,20,22).
What are the key properties of 3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide?
3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide has a molecular weight of 325.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide is sourced from PubChem (CID 12968693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).