(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

C18H21N3O3 — CID 95191447

IUPAC(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1CCNC1
InChIInChI=1S/C18H21N3O3/c1-23-15-6-2-3-7-16(15)24-18-14(5-4-9-20-18)12-21-17(22)13-8-10-19-11-13/h2-7,9,13,19H,8,10-12H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyNXJVVMHLQWLUOX-CYBMUJFWSA-N
MW327.38 g/mol
LogP2.11
Rot. Bonds6

About (3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 95191447) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
PubChem CID95191447
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1CCNC1
InChIInChI=1S/C18H21N3O3/c1-23-15-6-2-3-7-16(15)24-18-14(5-4-9-20-18)12-21-17(22)13-8-10-19-11-13/h2-7,9,13,19H,8,10-12H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyNXJVVMHLQWLUOX-CYBMUJFWSA-N
XLogP2.11
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 56757836
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119892844
(2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 56756996
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinoline-6-carboxamide
CID 56738127
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 56752971
N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119902780
(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 95206608

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (CID 95191447) is (3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is COc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is NXJVVMHLQWLUOX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-15-6-2-3-7-16(15)24-18-14(5-4-9-20-18)12-21-17(22)13-8-10-19-11-13/h2-7,9,13,19H,8,10-12H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95191447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).