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

C18H23N5O2 — CID 94080482

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cnn(C)c1C
InChIInChI=1S/C18H23N5O2/c1-10-14(11(2)22-18(25)15(10)8-19)6-7-17(24)21-12(3)16-9-20-23(5)13(16)4/h9,12H,6-7H2,1-5H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyBAPYLUCUJQXJJB-LBPRGKRZSA-N
MW341.42 g/mol
LogP1.72
Rot. Bonds5

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide (PubChem CID 94080482) 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-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
PubChem CID94080482
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cnn(C)c1C
InChIInChI=1S/C18H23N5O2/c1-10-14(11(2)22-18(25)15(10)8-19)6-7-17(24)21-12(3)16-9-20-23(5)13(16)4/h9,12H,6-7H2,1-5H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyBAPYLUCUJQXJJB-LBPRGKRZSA-N
XLogP1.72
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 78808574
N-[1-(4-chlorophenyl)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 17420582
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide
CID 18162533
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 43696294
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52528410
N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride
CID 119260908
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide
CID 46546542
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 7598664
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
CID 47829818
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 124755441
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 19468867

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide (CID 94080482) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cnn(C)c1C.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is BAPYLUCUJQXJJB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-10-14(11(2)22-18(25)15(10)8-19)6-7-17(24)21-12(3)16-9-20-23(5)13(16)4/h9,12H,6-7H2,1-5H3,(H,21,24)(H,22,25)/t12-/m0/s1.
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 341.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 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-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 94080482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).