N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide

C16H26N6O3 — CID 56702106

IUPACN-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)[C@@H]1C[C@H](NC(=O)N2CCOCC2)CN1C
InChIInChI=1S/C16H26N6O3/c1-20-10-12(19-16(24)22-5-7-25-8-6-22)9-13(20)15(23)21(2)11-14-17-3-4-18-14/h3-4,12-13H,5-11H2,1-2H3,(H,17,18)(H,19,24)/t12-,13-/m0/s1
InChIKeyYONNSMTYLDLTLP-STQMWFEESA-N
MW350.42 g/mol
LogP-0.52
Rot. Bonds4

About N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide

N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide (PubChem CID 56702106) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide
PubChem CID56702106
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC NameN-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)[C@@H]1C[C@H](NC(=O)N2CCOCC2)CN1C
InChIInChI=1S/C16H26N6O3/c1-20-10-12(19-16(24)22-5-7-25-8-6-22)9-13(20)15(23)21(2)11-14-17-3-4-18-14/h3-4,12-13H,5-11H2,1-2H3,(H,17,18)(H,19,24)/t12-,13-/m0/s1
InChIKeyYONNSMTYLDLTLP-STQMWFEESA-N
XLogP-0.52
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-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,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide (CID 56702106) is N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide is CN(Cc1ncc[nH]1)C(=O)[C@@H]1C[C@H](NC(=O)N2CCOCC2)CN1C.
What is the InChIKey of N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide?
The InChIKey is YONNSMTYLDLTLP-STQMWFEESA-N. The full InChI is InChI=1S/C16H26N6O3/c1-20-10-12(19-16(24)22-5-7-25-8-6-22)9-13(20)15(23)21(2)11-14-17-3-4-18-14/h3-4,12-13H,5-11H2,1-2H3,(H,17,18)(H,19,24)/t12-,13-/m0/s1.
What are the key properties of N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide?
N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 56702106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).