N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide

C11H17N3O2 — CID 43596000

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cccn1C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C11H17N3O2/c1-13-5-3-4-8(13)11(16)14(2)9-6-12-7-10(9)15/h3-5,9-10,12,15H,6-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyUDDSAANPRFGKDD-NXEZZACHSA-N
MW223.28 g/mol
LogP-0.57
Rot. Bonds2

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 43596000) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID43596000
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cccn1C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C11H17N3O2/c1-13-5-3-4-8(13)11(16)14(2)9-6-12-7-10(9)15/h3-5,9-10,12,15H,6-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyUDDSAANPRFGKDD-NXEZZACHSA-N
XLogP-0.57
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 134004086
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide
CID 110126014
N-(azepan-4-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 104974495
N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 74884160
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide
CID 103120595
N-(2-chloroacetyl)-N,1-dimethylpyrrole-2-carboxamide
CID 28893231
4-chloro-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide
CID 114088799
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,2,3-trimethylbenzamide
CID 114088803
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide
CID 43595828
4-bromo-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 43639929
N-[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 99795247
N,N-diethyl-1-methylpyrrole-2-carboxamide
CID 60654004

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide (CID 43596000) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide is CN(C(=O)c1cccn1C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is UDDSAANPRFGKDD-NXEZZACHSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-5-3-4-8(13)11(16)14(2)9-6-12-7-10(9)15/h3-5,9-10,12,15H,6-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 43596000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).