2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid

C17H19N3O3 — CID 166317364

IUPAC2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)c2ccc3cnccc3n2)CCCCC1C(=O)O
InChIInChI=1S/C17H19N3O3/c1-17(8-3-2-4-12(17)16(22)23)20-15(21)14-6-5-11-10-18-9-7-13(11)19-14/h5-7,9-10,12H,2-4,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyHHGSUGCSEIOIPN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.39
Rot. Bonds3

About 2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid

2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 166317364) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID166317364
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)c2ccc3cnccc3n2)CCCCC1C(=O)O
InChIInChI=1S/C17H19N3O3/c1-17(8-3-2-4-12(17)16(22)23)20-15(21)14-6-5-11-10-18-9-7-13(11)19-14/h5-7,9-10,12H,2-4,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyHHGSUGCSEIOIPN-UHFFFAOYSA-N
XLogP2.39
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid (CID 166317364) is 2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid is CC1(NC(=O)c2ccc3cnccc3n2)CCCCC1C(=O)O.
What is the InChIKey of 2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is HHGSUGCSEIOIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-17(8-3-2-4-12(17)16(22)23)20-15(21)14-6-5-11-10-18-9-7-13(11)19-14/h5-7,9-10,12H,2-4,8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid?
2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 166317364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).