N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide

C12H18ClN5O — CID 134299741

IUPACN'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide
SMILESCCC1CCCN(C(=O)NNc2nccnc2Cl)C1
InChIInChI=1S/C12H18ClN5O/c1-2-9-4-3-7-18(8-9)12(19)17-16-11-10(13)14-5-6-15-11/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)(H,17,19)
InChIKeyHCPMYDJIJVLQAW-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.29
Rot. Bonds3

About N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide

N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide (PubChem CID 134299741) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide
PubChem CID134299741
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC NameN'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide
SMILESCCC1CCCN(C(=O)NNc2nccnc2Cl)C1
InChIInChI=1S/C12H18ClN5O/c1-2-9-4-3-7-18(8-9)12(19)17-16-11-10(13)14-5-6-15-11/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)(H,17,19)
InChIKeyHCPMYDJIJVLQAW-UHFFFAOYSA-N
XLogP2.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide
CID 139295693
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
(2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 113347117
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163
(1-chloroisoquinolin-4-yl)-(3-ethylpiperidin-1-yl)methanone
CID 106765973
(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide
CID 143486954
1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62490949
tert-butyl (3S)-3-[(3-chloropyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 124947383
(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 107517939
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644537

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide?
The IUPAC name of N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide (CID 134299741) is N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide.
What is the SMILES notation for N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide?
The canonical SMILES for N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide is CCC1CCCN(C(=O)NNc2nccnc2Cl)C1.
What is the InChIKey of N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide?
The InChIKey is HCPMYDJIJVLQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-2-9-4-3-7-18(8-9)12(19)17-16-11-10(13)14-5-6-15-11/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)(H,17,19).
What are the key properties of N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide?
N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide has a molecular weight of 283.76 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide is sourced from PubChem (CID 134299741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).