3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide

C17H23ClN4O3 — CID 74380821

IUPAC3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESCC1CCN(C(=O)CCNc2ncc(C=CC(=O)NO)cc2Cl)CC1
InChIInChI=1S/C17H23ClN4O3/c1-12-5-8-22(9-6-12)16(24)4-7-19-17-14(18)10-13(11-20-17)2-3-15(23)21-25/h2-3,10-12,25H,4-9H2,1H3,(H,19,20)(H,21,23)
InChIKeyHLMGAEHWNAKYRG-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.31
Rot. Bonds6

About 3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide

3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide (PubChem CID 74380821) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
PubChem CID74380821
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESCC1CCN(C(=O)CCNc2ncc(C=CC(=O)NO)cc2Cl)CC1
InChIInChI=1S/C17H23ClN4O3/c1-12-5-8-22(9-6-12)16(24)4-7-19-17-14(18)10-13(11-20-17)2-3-15(23)21-25/h2-3,10-12,25H,4-9H2,1H3,(H,19,20)(H,21,23)
InChIKeyHLMGAEHWNAKYRG-UHFFFAOYSA-N
XLogP2.31
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 59242143
N-[2-[[3-chloro-5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]ethyl]cyclohexanecarboxamide
CID 24988994
3-[5-chloro-6-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 90766298
3-[5-chloro-6-[[(3R)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 90979276
3-[5-chloro-6-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;hydrochloride
CID 173124902
3-[6-[(1-benzoylpiperidin-4-yl)amino]-5-chloro-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 90967564
3-[5-chloro-6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 173124857
(E)-3-[5-chloro-6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 87637881
3-[5-chloro-6-[[(3R)-1-(2-chlorobenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 90712877
4-chloro-N-[2-[[3-chloro-5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]ethyl]benzamide
CID 74380686
3-[5-chloro-6-[[(3R)-1-[4-[(dimethylamino)methyl]cyclohexanecarbonyl]pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91510828
3-[5-chloro-6-[[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91274458

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide (CID 74380821) is 3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide is CC1CCN(C(=O)CCNc2ncc(C=CC(=O)NO)cc2Cl)CC1.
What is the InChIKey of 3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The InChIKey is HLMGAEHWNAKYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3/c1-12-5-8-22(9-6-12)16(24)4-7-19-17-14(18)10-13(11-20-17)2-3-15(23)21-25/h2-3,10-12,25H,4-9H2,1H3,(H,19,20)(H,21,23).
What are the key properties of 3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide has a molecular weight of 366.85 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 74380821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).