4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide

C23H31N5O2 — CID 58996962

IUPAC4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide
SMILESCc1cnc(CN(C2CCN(C(=O)NO)CC2)C2CCCc3cccnc32)c(C)c1
InChIInChI=1S/C23H31N5O2/c1-16-13-17(2)20(25-14-16)15-28(19-8-11-27(12-9-19)23(29)26-30)21-7-3-5-18-6-4-10-24-22(18)21/h4,6,10,13-14,19,21,30H,3,5,7-9,11-12,15H2,1-2H3,(H,26,29)
InChIKeyADUOVZWCWRGSDP-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.54
Rot. Bonds4

About 4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide

4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide (PubChem CID 58996962) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide
PubChem CID58996962
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide
SMILESCc1cnc(CN(C2CCN(C(=O)NO)CC2)C2CCCc3cccnc32)c(C)c1
InChIInChI=1S/C23H31N5O2/c1-16-13-17(2)20(25-14-16)15-28(19-8-11-27(12-9-19)23(29)26-30)21-7-3-5-18-6-4-10-24-22(18)21/h4,6,10,13-14,19,21,30H,3,5,7-9,11-12,15H2,1-2H3,(H,26,29)
InChIKeyADUOVZWCWRGSDP-UHFFFAOYSA-N
XLogP3.54
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine
CID 58997151
N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine
CID 68960977
1-[4-[(3,5-dimethyl-2-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)amino]butyl]-3-hydroxyurea
CID 87857763
4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide
CID 59694160
N-[[4-[[(3,5-dimethyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-3-(hydroxymethyl)phenyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 58996959
(2R)-N-[[4-[[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3-(hydroxymethyl)phenyl]methyl]-2-phenylbutanamide
CID 67272229
4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 58997168
4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide
CID 58997019
4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide
CID 138035150
2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]acetic acid
CID 68868531
CID 145418378
CID 145418378
4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide
CID 91226760

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide (CID 58996962) is 4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide is Cc1cnc(CN(C2CCN(C(=O)NO)CC2)C2CCCc3cccnc32)c(C)c1.
What is the InChIKey of 4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide?
The InChIKey is ADUOVZWCWRGSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-16-13-17(2)20(25-14-16)15-28(19-8-11-27(12-9-19)23(29)26-30)21-7-3-5-18-6-4-10-24-22(18)21/h4,6,10,13-14,19,21,30H,3,5,7-9,11-12,15H2,1-2H3,(H,26,29).
What are the key properties of 4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide?
4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 58996962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).