2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide

C21H23N3O2 — CID 21186393

IUPAC2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide
SMILESCC(N)C(=O)NC1(C(=O)c2ccc3cc(C#N)ccc3c2)CCCCC1
InChIInChI=1S/C21H23N3O2/c1-14(23)20(26)24-21(9-3-2-4-10-21)19(25)18-8-7-16-11-15(13-22)5-6-17(16)12-18/h5-8,11-12,14H,2-4,9-10,23H2,1H3,(H,24,26)
InChIKeyCTRFRBYBIBQLNB-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.06
Rot. Bonds4

About 2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide

2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide (PubChem CID 21186393) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide
PubChem CID21186393
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide
SMILESCC(N)C(=O)NC1(C(=O)c2ccc3cc(C#N)ccc3c2)CCCCC1
InChIInChI=1S/C21H23N3O2/c1-14(23)20(26)24-21(9-3-2-4-10-21)19(25)18-8-7-16-11-15(13-22)5-6-17(16)12-18/h5-8,11-12,14H,2-4,9-10,23H2,1H3,(H,24,26)
InChIKeyCTRFRBYBIBQLNB-UHFFFAOYSA-N
XLogP3.06
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide?
The IUPAC name of 2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide (CID 21186393) is 2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide?
The canonical SMILES for 2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide is CC(N)C(=O)NC1(C(=O)c2ccc3cc(C#N)ccc3c2)CCCCC1.
What is the InChIKey of 2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide?
The InChIKey is CTRFRBYBIBQLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(23)20(26)24-21(9-3-2-4-10-21)19(25)18-8-7-16-11-15(13-22)5-6-17(16)12-18/h5-8,11-12,14H,2-4,9-10,23H2,1H3,(H,24,26).
What are the key properties of 2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide?
2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide is sourced from PubChem (CID 21186393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).