4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one

C13H17ClN4O2 — CID 64693525

IUPAC4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
SMILESCCNc1ncc(C(=O)N2CCN(C)C(=O)C2)cc1Cl
InChIInChI=1S/C13H17ClN4O2/c1-3-15-12-10(14)6-9(7-16-12)13(20)18-5-4-17(2)11(19)8-18/h6-7H,3-5,8H2,1-2H3,(H,15,16)
InChIKeySDCZFTQSTJVJTK-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.08
Rot. Bonds3

About 4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one

4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one (PubChem CID 64693525) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
PubChem CID64693525
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
SMILESCCNc1ncc(C(=O)N2CCN(C)C(=O)C2)cc1Cl
InChIInChI=1S/C13H17ClN4O2/c1-3-15-12-10(14)6-9(7-16-12)13(20)18-5-4-17(2)11(19)8-18/h6-7H,3-5,8H2,1-2H3,(H,15,16)
InChIKeySDCZFTQSTJVJTK-UHFFFAOYSA-N
XLogP1.08
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 62170776
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172223
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538359
[5-chloro-6-(ethylamino)-3-pyridinyl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107458893
[5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968832
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
4-(4-amino-3-chlorobenzoyl)-1-methylpiperazin-2-one
CID 64682228
4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 114918581
5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
CID 106327037

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one (CID 64693525) is 4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one is CCNc1ncc(C(=O)N2CCN(C)C(=O)C2)cc1Cl.
What is the InChIKey of 4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one?
The InChIKey is SDCZFTQSTJVJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-3-15-12-10(14)6-9(7-16-12)13(20)18-5-4-17(2)11(19)8-18/h6-7H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of 4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one?
4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one has a molecular weight of 296.76 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64693525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).