N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide

C23H27N5O3 — CID 110212124

IUPACN-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CCC2(CCC1=O)NC(=O)c1cccnc1N2
InChIInChI=1S/C23H27N5O3/c1-2-27(15-17-7-4-3-5-8-17)20(30)16-28-14-12-23(11-10-19(28)29)25-21-18(22(31)26-23)9-6-13-24-21/h3-9,13H,2,10-12,14-16H2,1H3,(H,24,25)(H,26,31)
InChIKeySYIKVJLAHDDBAL-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.99
Rot. Bonds5

About N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide

N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide (PubChem CID 110212124) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide
PubChem CID110212124
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CCC2(CCC1=O)NC(=O)c1cccnc1N2
InChIInChI=1S/C23H27N5O3/c1-2-27(15-17-7-4-3-5-8-17)20(30)16-28-14-12-23(11-10-19(28)29)25-21-18(22(31)26-23)9-6-13-24-21/h3-9,13H,2,10-12,14-16H2,1H3,(H,24,25)(H,26,31)
InChIKeySYIKVJLAHDDBAL-UHFFFAOYSA-N
XLogP1.99
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione
CID 92572053
(2R)-1'-[(2R)-1-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione
CID 124869372
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-ethylacetamide
CID 7610491
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)propanamide
CID 110212170
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
N-ethyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78865696
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
N-benzyl-N-ethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7171006
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-methylquinolin-6-yl)acetamide
CID 92560441

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide (CID 110212124) is N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN1CCC2(CCC1=O)NC(=O)c1cccnc1N2.
What is the InChIKey of N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide?
The InChIKey is SYIKVJLAHDDBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-2-27(15-17-7-4-3-5-8-17)20(30)16-28-14-12-23(11-10-19(28)29)25-21-18(22(31)26-23)9-6-13-24-21/h3-9,13H,2,10-12,14-16H2,1H3,(H,24,25)(H,26,31).
What are the key properties of N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide?
N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide has a molecular weight of 421.50 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide is sourced from PubChem (CID 110212124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).