2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide

C19H20N4O3 — CID 126436640

IUPAC2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCC[C@H]1C(=O)NCCN1C(=O)c1cccc(-c2ncccc2C(N)=O)c1
InChIInChI=1S/C19H20N4O3/c1-2-15-18(25)22-9-10-23(15)19(26)13-6-3-5-12(11-13)16-14(17(20)24)7-4-8-21-16/h3-8,11,15H,2,9-10H2,1H3,(H2,20,24)(H,22,25)/t15-/m0/s1
InChIKeyMXYMDTZXHZLOHX-HNNXBMFYSA-N
MW352.39 g/mol
LogP1.20
Rot. Bonds4

About 2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide

2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide (PubChem CID 126436640) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide
PubChem CID126436640
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCC[C@H]1C(=O)NCCN1C(=O)c1cccc(-c2ncccc2C(N)=O)c1
InChIInChI=1S/C19H20N4O3/c1-2-15-18(25)22-9-10-23(15)19(26)13-6-3-5-12(11-13)16-14(17(20)24)7-4-8-21-16/h3-8,11,15H,2,9-10H2,1H3,(H2,20,24)(H,22,25)/t15-/m0/s1
InChIKeyMXYMDTZXHZLOHX-HNNXBMFYSA-N
XLogP1.20
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 63602039
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
3-ethyl-4-[3-(5-fluoro-1-methylindazol-3-yl)benzoyl]piperazin-2-one
CID 122563076
(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one
CID 95330414
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide
CID 113332983
3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 55217695
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091
3-ethyl-4-(6-hydrazinylpyridine-2-carbonyl)piperazin-2-one
CID 63603750

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide (CID 126436640) is 2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide is CC[C@H]1C(=O)NCCN1C(=O)c1cccc(-c2ncccc2C(N)=O)c1.
What is the InChIKey of 2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The InChIKey is MXYMDTZXHZLOHX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-2-15-18(25)22-9-10-23(15)19(26)13-6-3-5-12(11-13)16-14(17(20)24)7-4-8-21-16/h3-8,11,15H,2,9-10H2,1H3,(H2,20,24)(H,22,25)/t15-/m0/s1.
What are the key properties of 2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide?
2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 126436640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).