N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide

C15H21N3O2 — CID 47265912

IUPACN-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
SMILESCc1ccnc(NC(=O)CN2CCCCCCC2=O)c1
InChIInChI=1S/C15H21N3O2/c1-12-7-8-16-13(10-12)17-14(19)11-18-9-5-3-2-4-6-15(18)20/h7-8,10H,2-6,9,11H2,1H3,(H,16,17,19)
InChIKeyDSOXENJVZJWKFV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.12
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide

N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide (PubChem CID 47265912) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
PubChem CID47265912
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
SMILESCc1ccnc(NC(=O)CN2CCCCCCC2=O)c1
InChIInChI=1S/C15H21N3O2/c1-12-7-8-16-13(10-12)17-14(19)11-18-9-5-3-2-4-6-15(18)20/h7-8,10H,2-6,9,11H2,1H3,(H,16,17,19)
InChIKeyDSOXENJVZJWKFV-UHFFFAOYSA-N
XLogP2.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 102821340
N-(3-hydroxy-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47051578
N-(4-methyl-2-pyridinyl)azepane-1-carboxamide
CID 127514123
2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 71888287
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122565470
N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide
CID 157016695
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 125442656
2-(2,5-dimethylpyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)acetamide;hydrochloride
CID 134821648
2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
CID 134357105
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 47205485

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide (CID 47265912) is N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide is Cc1ccnc(NC(=O)CN2CCCCCCC2=O)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide?
The InChIKey is DSOXENJVZJWKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-7-8-16-13(10-12)17-14(19)11-18-9-5-3-2-4-6-15(18)20/h7-8,10H,2-6,9,11H2,1H3,(H,16,17,19).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide?
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide is sourced from PubChem (CID 47265912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).