N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C14H17N3O2 — CID 54871079

IUPACN-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)C1CC(O)CN1
InChIInChI=1S/C14H17N3O2/c1-17(14(19)13-6-12(18)8-16-13)9-11-4-2-10(7-15)3-5-11/h2-5,12-13,16,18H,6,8-9H2,1H3
InChIKeyPMUUWZRIYFLHLQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.24
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 54871079) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID54871079
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)C1CC(O)CN1
InChIInChI=1S/C14H17N3O2/c1-17(14(19)13-6-12(18)8-16-13)9-11-4-2-10(7-15)3-5-11/h2-5,12-13,16,18H,6,8-9H2,1H3
InChIKeyPMUUWZRIYFLHLQ-UHFFFAOYSA-N
XLogP0.24
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 60936759
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
N-[(4-cyanophenyl)methyl]-N-methyl-5-oxopiperazine-2-carboxamide
CID 107435093
N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54869026
N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266207
4-hydroxy-N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 60944721
(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
CID 59336257
N-[(4-bromothiophen-2-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54872212
4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
CID 54943679
cis-(1S,3R)-N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide
CID 97249814
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 60937843
(2R,4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138507

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 54871079) is N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is CN(Cc1ccc(C#N)cc1)C(=O)C1CC(O)CN1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is PMUUWZRIYFLHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(14(19)13-6-12(18)8-16-13)9-11-4-2-10(7-15)3-5-11/h2-5,12-13,16,18H,6,8-9H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54871079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).