(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

C23H33N5O3 — CID 10550428

IUPAC(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCN1C(=O)C[C@@H](c2cccnc2)[C@@H]1C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1
InChIInChI=1S/C23H33N5O3/c1-27-20(29)12-18(16-4-2-10-25-14-16)21(27)23(31)28-11-3-5-19(28)22(30)26-13-15-6-8-17(24)9-7-15/h2,4,10,14-15,17-19,21H,3,5-9,11-13,24H2,1H3,(H,26,30)/t15?,17?,18-,19-,21+/m0/s1
InChIKeyYUCGTLKDDXAKDW-SWGGERRBSA-N
MW427.55 g/mol
LogP1.02
Rot. Bonds5

About (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 10550428) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID10550428
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCN1C(=O)C[C@@H](c2cccnc2)[C@@H]1C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1
InChIInChI=1S/C23H33N5O3/c1-27-20(29)12-18(16-4-2-10-25-14-16)21(27)23(31)28-11-3-5-19(28)22(30)26-13-15-6-8-17(24)9-7-15/h2,4,10,14-15,17-19,21H,3,5-9,11-13,24H2,1H3,(H,26,30)/t15?,17?,18-,19-,21+/m0/s1
InChIKeyYUCGTLKDDXAKDW-SWGGERRBSA-N
XLogP1.02
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 10550428) is (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is CN1C(=O)C[C@@H](c2cccnc2)[C@@H]1C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1.
What is the InChIKey of (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is YUCGTLKDDXAKDW-SWGGERRBSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-27-20(29)12-18(16-4-2-10-25-14-16)21(27)23(31)28-11-3-5-19(28)22(30)26-13-15-6-8-17(24)9-7-15/h2,4,10,14-15,17-19,21H,3,5-9,11-13,24H2,1H3,(H,26,30)/t15?,17?,18-,19-,21+/m0/s1.
What are the key properties of (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10550428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).