N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide

C21H31N3O3 — CID 167286238

IUPACN-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide
SMILESCC1CC2CC(C1)CC(C)(C(C)NC(=O)Cn1cccc(NC=O)c1=O)C2
InChIInChI=1S/C21H31N3O3/c1-14-7-16-9-17(8-14)11-21(3,10-16)15(2)23-19(26)12-24-6-4-5-18(20(24)27)22-13-25/h4-6,13-17H,7-12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyAXFQNYDEXHAEKR-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.77
Rot. Bonds6

About N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide

N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide (PubChem CID 167286238) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide
PubChem CID167286238
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide
SMILESCC1CC2CC(C1)CC(C)(C(C)NC(=O)Cn1cccc(NC=O)c1=O)C2
InChIInChI=1S/C21H31N3O3/c1-14-7-16-9-17(8-14)11-21(3,10-16)15(2)23-19(26)12-24-6-4-5-18(20(24)27)22-13-25/h4-6,13-17H,7-12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyAXFQNYDEXHAEKR-UHFFFAOYSA-N
XLogP2.77
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide
CID 166455279
N-[(1S)-1-(1-adamantyl)ethyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354426
N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide
CID 166455951
methyl (E,6S)-7-[[1-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-6-[(3-methyl-1-benzofuran-2-carbonyl)amino]-7-oxohept-2-enoate
CID 166454884
N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide
CID 167291364
N-[1-[2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-N'-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-5-oxohexanediamide
CID 166455782
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242129
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242132
N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170041
3-[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 7984777
N-[(1R)-1-(1-adamantyl)ethyl]-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide
CID 92679023
N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 60590759

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide (CID 167286238) is N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide is CC1CC2CC(C1)CC(C)(C(C)NC(=O)Cn1cccc(NC=O)c1=O)C2.
What is the InChIKey of N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide?
The InChIKey is AXFQNYDEXHAEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14-7-16-9-17(8-14)11-21(3,10-16)15(2)23-19(26)12-24-6-4-5-18(20(24)27)22-13-25/h4-6,13-17H,7-12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide?
N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 167286238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).