3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C18H23N5O2 — CID 47832792

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCCN(Cc1cnn(C)c1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C18H23N5O2/c1-5-23(11-14-9-20-22(4)10-14)17(24)7-6-15-12(2)16(8-19)18(25)21-13(15)3/h9-10H,5-7,11H2,1-4H3,(H,21,25)
InChIKeySNRDDPFMQUUAAH-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.58
Rot. Bonds6

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 47832792) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID47832792
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCCN(Cc1cnn(C)c1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C18H23N5O2/c1-5-23(11-14-9-20-22(4)10-14)17(24)7-6-15-12(2)16(8-19)18(25)21-13(15)3/h9-10H,5-7,11H2,1-4H3,(H,21,25)
InChIKeySNRDDPFMQUUAAH-UHFFFAOYSA-N
XLogP1.58
TPSA94.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 47832792) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is CCN(Cc1cnn(C)c1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is SNRDDPFMQUUAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-5-23(11-14-9-20-22(4)10-14)17(24)7-6-15-12(2)16(8-19)18(25)21-13(15)3/h9-10H,5-7,11H2,1-4H3,(H,21,25).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 341.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 47832792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).