N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide

C13H22N4O2 — CID 91760957

IUPACN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ncc(C)[nH]1
InChIInChI=1S/C13H22N4O2/c1-8(2)17-6-10(11(7-17)19-4)16-13(18)12-14-5-9(3)15-12/h5,8,10-11H,6-7H2,1-4H3,(H,14,15)(H,16,18)/t10-,11-/m0/s1
InChIKeyBCQVSFUXGLHLJG-QWRGUYRKSA-N
MW266.34 g/mol
LogP0.56
Rot. Bonds4

About N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 91760957) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID91760957
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ncc(C)[nH]1
InChIInChI=1S/C13H22N4O2/c1-8(2)17-6-10(11(7-17)19-4)16-13(18)12-14-5-9(3)15-12/h5,8,10-11H,6-7H2,1-4H3,(H,14,15)(H,16,18)/t10-,11-/m0/s1
InChIKeyBCQVSFUXGLHLJG-QWRGUYRKSA-N
XLogP0.56
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-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 N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide (CID 91760957) is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ncc(C)[nH]1.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is BCQVSFUXGLHLJG-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)17-6-10(11(7-17)19-4)16-13(18)12-14-5-9(3)15-12/h5,8,10-11H,6-7H2,1-4H3,(H,14,15)(H,16,18)/t10-,11-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91760957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).