N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide

C17H21N3O2 — CID 72861872

IUPACN-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide
SMILESO=C(Cn1ccc2ncccc2c1=O)NCC1CCCCC1
InChIInChI=1S/C17H21N3O2/c21-16(19-11-13-5-2-1-3-6-13)12-20-10-8-15-14(17(20)22)7-4-9-18-15/h4,7-10,13H,1-3,5-6,11-12H2,(H,19,21)
InChIKeyWXBLKUGZEXAYSJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.09
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide

N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide (PubChem CID 72861872) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide
PubChem CID72861872
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide
SMILESO=C(Cn1ccc2ncccc2c1=O)NCC1CCCCC1
InChIInChI=1S/C17H21N3O2/c21-16(19-11-13-5-2-1-3-6-13)12-20-10-8-15-14(17(20)22)7-4-9-18-15/h4,7-10,13H,1-3,5-6,11-12H2,(H,19,21)
InChIKeyWXBLKUGZEXAYSJ-UHFFFAOYSA-N
XLogP2.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide
CID 97285326
2-(4-oxoquinazolin-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95229580
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 66415886
N-(cyclohexylmethyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679733
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144389
2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 46403234
N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
CID 22334244
N-(cyclopropylmethyl)-1-[2-[(3-methyl-2-pyridinyl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635436
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2410535
2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 131922151
N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide
CID 55602625

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide (CID 72861872) is N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide is O=C(Cn1ccc2ncccc2c1=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide?
The InChIKey is WXBLKUGZEXAYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16(19-11-13-5-2-1-3-6-13)12-20-10-8-15-14(17(20)22)7-4-9-18-15/h4,7-10,13H,1-3,5-6,11-12H2,(H,19,21).
What are the key properties of N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide?
N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide is sourced from PubChem (CID 72861872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).