N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide

C26H41N5O3 — CID 70887498

IUPACN-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide
SMILESCC(=O)N[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CCC(NC(=O)c2cccc(C(C)(C)C)n2)C1=O
InChIInChI=1S/C26H41N5O3/c1-16(2)30(7)18-11-12-22(21(15-18)27-17(3)32)31-14-13-20(25(31)34)29-24(33)19-9-8-10-23(28-19)26(4,5)6/h8-10,16,18,20-22H,11-15H2,1-7H3,(H,27,32)(H,29,33)/t18-,20?,21-,22+/m1/s1
InChIKeyGJCUOJRIDPFSGU-VEEZFSHISA-N
MW471.65 g/mol
LogP2.48
Rot. Bonds6

About N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide

N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide (PubChem CID 70887498) has the molecular formula C26H41N5O3 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide
PubChem CID70887498
Molecular FormulaC26H41N5O3
Molecular Weight471.65 g/mol
Exact Mass471.32
IUPAC NameN-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide
SMILESCC(=O)N[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CCC(NC(=O)c2cccc(C(C)(C)C)n2)C1=O
InChIInChI=1S/C26H41N5O3/c1-16(2)30(7)18-11-12-22(21(15-18)27-17(3)32)31-14-13-20(25(31)34)29-24(33)19-9-8-10-23(28-19)26(4,5)6/h8-10,16,18,20-22H,11-15H2,1-7H3,(H,27,32)(H,29,33)/t18-,20?,21-,22+/m1/s1
InChIKeyGJCUOJRIDPFSGU-VEEZFSHISA-N
XLogP2.48
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide?
The IUPAC name of N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide (CID 70887498) is N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide?
The canonical SMILES for N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide is CC(=O)N[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CCC(NC(=O)c2cccc(C(C)(C)C)n2)C1=O.
What is the InChIKey of N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide?
The InChIKey is GJCUOJRIDPFSGU-VEEZFSHISA-N. The full InChI is InChI=1S/C26H41N5O3/c1-16(2)30(7)18-11-12-22(21(15-18)27-17(3)32)31-14-13-20(25(31)34)29-24(33)19-9-8-10-23(28-19)26(4,5)6/h8-10,16,18,20-22H,11-15H2,1-7H3,(H,27,32)(H,29,33)/t18-,20?,21-,22+/m1/s1.
What are the key properties of N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide?
N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide has a molecular weight of 471.65 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S,2R,4R)-2-acetamido-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide is sourced from PubChem (CID 70887498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).