N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide

C26H33N3O3 — CID 110246846

IUPACN-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(C)c(C2CCCN2C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)c1
InChIInChI=1S/C26H33N3O3/c1-18-12-13-19(2)22(16-18)23-11-7-15-29(23)26(32)21-10-6-14-28(25(21)31)17-24(30)27-20-8-4-3-5-9-20/h6,10,12-14,16,20,23H,3-5,7-9,11,15,17H2,1-2H3,(H,27,30)
InChIKeySPPGRTNLLMZSEA-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.89
Rot. Bonds5

About N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide

N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 110246846) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
PubChem CID110246846
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(C)c(C2CCCN2C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)c1
InChIInChI=1S/C26H33N3O3/c1-18-12-13-19(2)22(16-18)23-11-7-15-29(23)26(32)21-10-6-14-28(25(21)31)17-24(30)27-20-8-4-3-5-9-20/h6,10,12-14,16,20,23H,3-5,7-9,11,15,17H2,1-2H3,(H,27,30)
InChIKeySPPGRTNLLMZSEA-UHFFFAOYSA-N
XLogP3.89
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 110246780
N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 92635216
N-benzyl-1-[2-[(2S)-2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635426
2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 110246831
1-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625368
N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 95184598
2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 110246981
1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
CID 92635828
2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 110246974
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 71917445
1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 139007333
2-(2,5-dimethylphenyl)piperidine-1-carbothioamide
CID 141244951

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide (CID 110246846) is N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide is Cc1ccc(C)c(C2CCCN2C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)c1.
What is the InChIKey of N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is SPPGRTNLLMZSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18-12-13-19(2)22(16-18)23-11-7-15-29(23)26(32)21-10-6-14-28(25(21)31)17-24(30)27-20-8-4-3-5-9-20/h6,10,12-14,16,20,23H,3-5,7-9,11,15,17H2,1-2H3,(H,27,30).
What are the key properties of N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide?
N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 435.57 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 110246846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).