2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide

C12H15N3O — CID 145269385

IUPAC2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cc(C2=CCCCC2)cnc1N
InChIInChI=1S/C12H15N3O/c13-11-10(12(14)16)6-9(7-15-11)8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H2,13,15)(H2,14,16)
InChIKeyIHRHINRDJULYBC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.72
Rot. Bonds2

About 2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide

2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide (PubChem CID 145269385) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide
PubChem CID145269385
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cc(C2=CCCCC2)cnc1N
InChIInChI=1S/C12H15N3O/c13-11-10(12(14)16)6-9(7-15-11)8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H2,13,15)(H2,14,16)
InChIKeyIHRHINRDJULYBC-UHFFFAOYSA-N
XLogP1.72
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide (CID 145269385) is 2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide is NC(=O)c1cc(C2=CCCCC2)cnc1N.
What is the InChIKey of 2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide?
The InChIKey is IHRHINRDJULYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-11-10(12(14)16)6-9(7-15-11)8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H2,13,15)(H2,14,16).
What are the key properties of 2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide?
2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(cyclohexen-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 145269385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).