N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide

C17H25N3O2 — CID 138022343

IUPACN-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NC2(CC(N)=O)CCCCC2)cn1
InChIInChI=1S/C17H25N3O2/c1-12(2)14-7-6-13(11-19-14)16(22)20-17(10-15(18)21)8-4-3-5-9-17/h6-7,11-12H,3-5,8-10H2,1-2H3,(H2,18,21)(H,20,22)
InChIKeyRSCNUKLOWNSVKR-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.51
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide

N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide (PubChem CID 138022343) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide
PubChem CID138022343
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NC2(CC(N)=O)CCCCC2)cn1
InChIInChI=1S/C17H25N3O2/c1-12(2)14-7-6-13(11-19-14)16(22)20-17(10-15(18)21)8-4-3-5-9-17/h6-7,11-12H,3-5,8-10H2,1-2H3,(H2,18,21)(H,20,22)
InChIKeyRSCNUKLOWNSVKR-UHFFFAOYSA-N
XLogP2.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide (CID 138022343) is N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide is CC(C)c1ccc(C(=O)NC2(CC(N)=O)CCCCC2)cn1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide?
The InChIKey is RSCNUKLOWNSVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)14-7-6-13(11-19-14)16(22)20-17(10-15(18)21)8-4-3-5-9-17/h6-7,11-12H,3-5,8-10H2,1-2H3,(H2,18,21)(H,20,22).
What are the key properties of N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 138022343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).