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

C26H41N5O3 — CID 91884571

IUPACN-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide
SMILESCC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O
InChIInChI=1S/C26H41N5O3/c1-16(32)27-20-15-17(30-26(5,6)7)11-12-21(20)31-14-13-19(24(31)34)29-23(33)18-9-8-10-22(28-18)25(2,3)4/h8-10,17,19-21,30H,11-15H2,1-7H3,(H,27,32)(H,29,33)/t17-,19+,20-,21+/m1/s1
InChIKeySNVMTABEFLKIEG-PMXSJFBMSA-N
MW471.65 g/mol
LogP2.52
Rot. Bonds5

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

N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide (PubChem CID 91884571) has the molecular formula C26H41N5O3 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide
PubChem CID91884571
Molecular FormulaC26H41N5O3
Molecular Weight471.65 g/mol
Exact Mass471.32
IUPAC NameN-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide
SMILESCC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O
InChIInChI=1S/C26H41N5O3/c1-16(32)27-20-15-17(30-26(5,6)7)11-12-21(20)31-14-13-19(24(31)34)29-23(33)18-9-8-10-22(28-18)25(2,3)4/h8-10,17,19-21,30H,11-15H2,1-7H3,(H,27,32)(H,29,33)/t17-,19+,20-,21+/m1/s1
InChIKeySNVMTABEFLKIEG-PMXSJFBMSA-N
XLogP2.52
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-cyclopropyl-2-N-methyl-6-[(1S)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185545
6-benzyl-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186011
6-tert-butyl-N-[(3S)-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-(methylsulfonylmethyl)cyclohexyl]-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 68767802
N,2-dimethyl-7-oxo-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 128963618
5-{4-[(7-Cyclohexyl-6-oxo-1,7-diazaspiro[4.4]non-1-yl)methyl]phenyl}-N-ethyl-pyridine-2-carboxamide
CID 24758412
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)picolinamide
CID 45268222
(5-(Aminomethyl)-4-(4-fluorophenyl)-6-methylpyridin-2-yl)(pyrrolidin-1-yl)methanone
CID 51356958
6-benzyl-4-N-cyclopropyl-2-N-methylpyridine-2,4-dicarboxamide
CID 132167418
4-N-cyclopropyl-2-N-methyl-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185548
6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide
CID 151280401
6-benzyl-2-N-methyl-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 152105256
(2S)-N-[5-carbamimidamido-1-oxo-1-(pyridin-2-yl)pentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646597

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide?
The IUPAC name of N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide (CID 91884571) is N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide is CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O.
What is the InChIKey of N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide?
The InChIKey is SNVMTABEFLKIEG-PMXSJFBMSA-N. The full InChI is InChI=1S/C26H41N5O3/c1-16(32)27-20-15-17(30-26(5,6)7)11-12-21(20)31-14-13-19(24(31)34)29-23(33)18-9-8-10-22(28-18)25(2,3)4/h8-10,17,19-21,30H,11-15H2,1-7H3,(H,27,32)(H,29,33)/t17-,19+,20-,21+/m1/s1.
What are the key properties of N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide?
N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide has a molecular weight of 471.65 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide is sourced from PubChem (CID 91884571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).