4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride

C20H24ClN5O3 — CID 87636996

IUPAC4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCl.O=C(/C=C/c1ccc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1)NO
InChIInChI=1S/C20H23N5O3.ClH/c26-19(24-28)9-7-15-6-8-18(21-14-15)22-17-10-12-25(13-11-17)20(27)23-16-4-2-1-3-5-16;/h1-9,14,17,28H,10-13H2,(H,21,22)(H,23,27)(H,24,26);1H/b9-7+;
InChIKeyLTDFCRIZJIPYQZ-BXTVWIJMSA-N
MW417.90 g/mol
LogP3.13
Rot. Bonds5

About 4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride

4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride (PubChem CID 87636996) has the molecular formula C20H24ClN5O3 and a molecular weight of 417.90 g/mol. Its IUPAC name is 4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
PubChem CID87636996
Molecular FormulaC20H24ClN5O3
Molecular Weight417.90 g/mol
Exact Mass417.16
IUPAC Name4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCl.O=C(/C=C/c1ccc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1)NO
InChIInChI=1S/C20H23N5O3.ClH/c26-19(24-28)9-7-15-6-8-18(21-14-15)22-17-10-12-25(13-11-17)20(27)23-16-4-2-1-3-5-16;/h1-9,14,17,28H,10-13H2,(H,21,22)(H,23,27)(H,24,26);1H/b9-7+;
InChIKeyLTDFCRIZJIPYQZ-BXTVWIJMSA-N
XLogP3.13
TPSA106.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 53.13
H-Bond Donors ≤ 54
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'}

Analyze 4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

3-[6-[[(3R)-1-benzoylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;hydrochloride
CID 173125304
3-[6-[[1-[(4-methylphenyl)carbamoyl]piperidin-4-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68960336
(E)-3-[6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 86603772
3-[6-[(1-benzylpyrrolidin-3-yl)amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 73060716
(E)-3-[6-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87636921
(E)-N-hydroxy-3-[6-[[1-(4-methylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]prop-2-enamide;hydrochloride
CID 87637894
(E)-3-[6-[[(3R)-1-benzylpiperidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87637103
(E)-3-[6-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 87637357
N-hydroxy-3-[6-[[(3R)-1-(piperidine-1-carbonyl)pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;hydrochloride
CID 173124866
(E)-N-hydroxy-3-[6-[[1-(4-methylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]prop-2-enamide
CID 87637895
(E)-3-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-N-hydroxyprop-2-enamide;hydrochloride
CID 87637365
(E)-3-[6-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87789937

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride (CID 87636996) is 4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride is Cl.O=C(/C=C/c1ccc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1)NO.
What is the InChIKey of 4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is LTDFCRIZJIPYQZ-BXTVWIJMSA-N. The full InChI is InChI=1S/C20H23N5O3.ClH/c26-19(24-28)9-7-15-6-8-18(21-14-15)22-17-10-12-25(13-11-17)20(27)23-16-4-2-1-3-5-16;/h1-9,14,17,28H,10-13H2,(H,21,22)(H,23,27)(H,24,26);1H/b9-7+;.
What are the key properties of 4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride?
4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 417.90 g/mol, XLogP of 3.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 87636996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).