1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide

C21H25N3O2 — CID 58102888

IUPAC1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide
SMILESNc1cccc2c1CCC2n1cccc(C(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C21H25N3O2/c22-18-10-4-8-16-15(18)11-12-19(16)24-13-5-9-17(21(24)26)20(25)23-14-6-2-1-3-7-14/h4-5,8-10,13-14,19H,1-3,6-7,11-12,22H2,(H,23,25)
InChIKeyFZVKNWABTVJSBA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide

1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide (PubChem CID 58102888) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide
PubChem CID58102888
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide
SMILESNc1cccc2c1CCC2n1cccc(C(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C21H25N3O2/c22-18-10-4-8-16-15(18)11-12-19(16)24-13-5-9-17(21(24)26)20(25)23-14-6-2-1-3-7-14/h4-5,8-10,13-14,19H,1-3,6-7,11-12,22H2,(H,23,25)
InChIKeyFZVKNWABTVJSBA-UHFFFAOYSA-N
XLogP3.03
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide (CID 58102888) is 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide is Nc1cccc2c1CCC2n1cccc(C(=O)NC2CCCCC2)c1=O.
What is the InChIKey of 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide?
The InChIKey is FZVKNWABTVJSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-18-10-4-8-16-15(18)11-12-19(16)24-13-5-9-17(21(24)26)20(25)23-14-6-2-1-3-7-14/h4-5,8-10,13-14,19H,1-3,6-7,11-12,22H2,(H,23,25).
What are the key properties of 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide?
1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 58102888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).