(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide

C17H19N3O2 — CID 94052771

IUPAC(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CC[C@@H]2c2ccccc2)ccn1
InChIInChI=1S/C17H19N3O2/c1-22-16-11-13(7-9-18-16)12-19-17(21)20-10-8-15(20)14-5-3-2-4-6-14/h2-7,9,11,15H,8,10,12H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyHGWRLODZJSBLOB-OAHLLOKOSA-N
MW297.36 g/mol
LogP2.75
Rot. Bonds4

About (2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide

(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide (PubChem CID 94052771) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
PubChem CID94052771
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CC[C@@H]2c2ccccc2)ccn1
InChIInChI=1S/C17H19N3O2/c1-22-16-11-13(7-9-18-16)12-19-17(21)20-10-8-15(20)14-5-3-2-4-6-14/h2-7,9,11,15H,8,10,12H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyHGWRLODZJSBLOB-OAHLLOKOSA-N
XLogP2.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 87003451
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 47032081
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylmorpholine-4-carboxamide
CID 71940734
(2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 94871507
(2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 96999867
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
N-[(2-methoxy-4-pyridinyl)methyl]-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
CID 136568232
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 43061406
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide (CID 94052771) is (2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide is COc1cc(CNC(=O)N2CC[C@@H]2c2ccccc2)ccn1.
What is the InChIKey of (2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide?
The InChIKey is HGWRLODZJSBLOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-16-11-13(7-9-18-16)12-19-17(21)20-10-8-15(20)14-5-3-2-4-6-14/h2-7,9,11,15H,8,10,12H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide?
(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide is sourced from PubChem (CID 94052771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).