N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide

C20H26N4O — CID 157029681

IUPACN-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1cc(-c2ccccn2)nc2c1CCC2
InChIInChI=1S/C20H26N4O/c1-20(2,3)23-19(25)13-24(4)18-12-17(16-9-5-6-11-21-16)22-15-10-7-8-14(15)18/h5-6,9,11-12H,7-8,10,13H2,1-4H3,(H,23,25)
InChIKeyCFUIALPXGYVVBO-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.98
Rot. Bonds4

About N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide

N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide (PubChem CID 157029681) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide
PubChem CID157029681
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1cc(-c2ccccn2)nc2c1CCC2
InChIInChI=1S/C20H26N4O/c1-20(2,3)23-19(25)13-24(4)18-12-17(16-9-5-6-11-21-16)22-15-10-7-8-14(15)18/h5-6,9,11-12H,7-8,10,13H2,1-4H3,(H,23,25)
InChIKeyCFUIALPXGYVVBO-UHFFFAOYSA-N
XLogP2.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide with MolForge

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Related Compounds

2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
CID 157030249
N-tert-butyl-2-[methyl-[2-[4-[[(2R)-oxiran-2-yl]methoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157029382
N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
CID 157030208
2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
CID 157030010
N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029369
3-[2-[4-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]propyl N-methylcarbamate
CID 167524611
N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029687
N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide
CID 157029358
N-tert-butyl-2-[methyl-[2-[4-(2-methylsulfonylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide;formic acid
CID 175851841
N-tert-butyl-2-[[2-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029740
N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157030003
N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 167209585

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide (CID 157029681) is N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide is CN(CC(=O)NC(C)(C)C)c1cc(-c2ccccn2)nc2c1CCC2.
What is the InChIKey of N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide?
The InChIKey is CFUIALPXGYVVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-20(2,3)23-19(25)13-24(4)18-12-17(16-9-5-6-11-21-16)22-15-10-7-8-14(15)18/h5-6,9,11-12H,7-8,10,13H2,1-4H3,(H,23,25).
What are the key properties of N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide?
N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide has a molecular weight of 338.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide is sourced from PubChem (CID 157029681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).