N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide

C29H40N4O2 — CID 167612729

IUPACN-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCc1cncc(C(C(=O)NC2CCCCC2)N(C(=O)C2CCCN2)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C29H40N4O2/c1-20-17-21(19-30-18-20)26(27(34)32-23-9-6-5-7-10-23)33(28(35)25-11-8-16-31-25)24-14-12-22(13-15-24)29(2,3)4/h12-15,17-19,23,25-26,31H,5-11,16H2,1-4H3,(H,32,34)
InChIKeyLHGYJRJQJHOLFE-UHFFFAOYSA-N
MW476.67 g/mol
LogP4.96
Rot. Bonds6

About N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide

N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 167612729) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID167612729
Molecular FormulaC29H40N4O2
Molecular Weight476.67 g/mol
Exact Mass476.32
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCc1cncc(C(C(=O)NC2CCCCC2)N(C(=O)C2CCCN2)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C29H40N4O2/c1-20-17-21(19-30-18-20)26(27(34)32-23-9-6-5-7-10-23)33(28(35)25-11-8-16-31-25)24-14-12-22(13-15-24)29(2,3)4/h12-15,17-19,23,25-26,31H,5-11,16H2,1-4H3,(H,32,34)
InChIKeyLHGYJRJQJHOLFE-UHFFFAOYSA-N
XLogP4.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156893623
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]thiomorpholine-3-carboxamide
CID 166040967
(2R,4R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(5-methoxy-3-pyridinyl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156894553
(2R)-N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-oxopyrrolidine-2-carboxamide
CID 166040529
N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 156894331
(2R,4S)-N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylsulfonylpyrrolidine-2-carboxamide
CID 166040708
N-(4-tert-butylphenyl)-4-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040170
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide
CID 156892550
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde
CID 156892717
(2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040279
N-(4-tert-butylphenyl)-N-[2-(3-methoxypropylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894262
N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894143

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 167612729) is N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide is Cc1cncc(C(C(=O)NC2CCCCC2)N(C(=O)C2CCCN2)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is LHGYJRJQJHOLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2/c1-20-17-21(19-30-18-20)26(27(34)32-23-9-6-5-7-10-23)33(28(35)25-11-8-16-31-25)24-14-12-22(13-15-24)29(2,3)4/h12-15,17-19,23,25-26,31H,5-11,16H2,1-4H3,(H,32,34).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 476.67 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167612729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).