N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide

C21H29N5O3 — CID 138007257

IUPACN-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCCc1nn(C)cc1C(=O)N1CCCC(N(C)C(=O)Cn2cccc(C)c2=O)C1
InChIInChI=1S/C21H29N5O3/c1-5-18-17(13-23(3)22-18)21(29)25-11-7-9-16(12-25)24(4)19(27)14-26-10-6-8-15(2)20(26)28/h6,8,10,13,16H,5,7,9,11-12,14H2,1-4H3
InChIKeyBVCYYXPQUJIZTH-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.22
Rot. Bonds5

About N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide

N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 138007257) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
PubChem CID138007257
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCCc1nn(C)cc1C(=O)N1CCCC(N(C)C(=O)Cn2cccc(C)c2=O)C1
InChIInChI=1S/C21H29N5O3/c1-5-18-17(13-23(3)22-18)21(29)25-11-7-9-16(12-25)24(4)19(27)14-26-10-6-8-15(2)20(26)28/h6,8,10,13,16H,5,7,9,11-12,14H2,1-4H3
InChIKeyBVCYYXPQUJIZTH-UHFFFAOYSA-N
XLogP1.22
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dicyclohexyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 56510273
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103894434
N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 138007230
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811396
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153
(3-ethyl-1-methylpyrazol-4-yl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 102810898
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920830
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811080
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129329829
[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 129339949
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809881

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide (CID 138007257) is N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide is CCc1nn(C)cc1C(=O)N1CCCC(N(C)C(=O)Cn2cccc(C)c2=O)C1.
What is the InChIKey of N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is BVCYYXPQUJIZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-5-18-17(13-23(3)22-18)21(29)25-11-7-9-16(12-25)24(4)19(27)14-26-10-6-8-15(2)20(26)28/h6,8,10,13,16H,5,7,9,11-12,14H2,1-4H3.
What are the key properties of N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 399.50 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 138007257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).