N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C20H20N4O3 — CID 58055582

IUPACN-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NC1CCc2cc(C(=O)NO)ccc2C1
InChIInChI=1S/C20H20N4O3/c1-12-18(24-9-3-2-4-17(24)21-12)20(26)22-16-8-7-13-10-15(19(25)23-27)6-5-14(13)11-16/h2-6,9-10,16,27H,7-8,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyRFMHVOQHYCSMIO-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.05
Rot. Bonds3

About N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 58055582) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID58055582
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NC1CCc2cc(C(=O)NO)ccc2C1
InChIInChI=1S/C20H20N4O3/c1-12-18(24-9-3-2-4-17(24)21-12)20(26)22-16-8-7-13-10-15(19(25)23-27)6-5-14(13)11-16/h2-6,9-10,16,27H,7-8,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyRFMHVOQHYCSMIO-UHFFFAOYSA-N
XLogP2.05
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 58055582) is N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NC1CCc2cc(C(=O)NO)ccc2C1.
What is the InChIKey of N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RFMHVOQHYCSMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-18(24-9-3-2-4-17(24)21-12)20(26)22-16-8-7-13-10-15(19(25)23-27)6-5-14(13)11-16/h2-6,9-10,16,27H,7-8,11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 58055582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).