(3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide

C19H21N3O3 — CID 94186224

IUPAC(3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)NCc2cccnc2OCc2ccccc2)CC1=O
InChIInChI=1S/C19H21N3O3/c1-22-12-16(10-17(22)23)18(24)21-11-15-8-5-9-20-19(15)25-13-14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyHJZAENTYSMQKMC-MRXNPFEDSA-N
MW339.39 g/mol
LogP1.76
Rot. Bonds6

About (3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 94186224) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is (3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
PubChem CID94186224
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name(3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)NCc2cccnc2OCc2ccccc2)CC1=O
InChIInChI=1S/C19H21N3O3/c1-22-12-16(10-17(22)23)18(24)21-11-15-8-5-9-20-19(15)25-13-14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyHJZAENTYSMQKMC-MRXNPFEDSA-N
XLogP1.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-(2-phenylmethoxy-3-pyridinyl)piperidine-4-carboxamide
CID 75461391
(3R)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95923495
(3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95923496
1-cyclopentyl-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 72936301
2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide
CID 167961837
1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 55613825
(E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide
CID 94186199
1-(4-methoxyphenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 46401120
N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide
CID 47042526
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55780754
N-[2-[[N-ethyl-N'-[(2-phenylmethoxy-3-pyridinyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111928178

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide (CID 94186224) is (3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide is CN1C[C@H](C(=O)NCc2cccnc2OCc2ccccc2)CC1=O.
What is the InChIKey of (3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is HJZAENTYSMQKMC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22-12-16(10-17(22)23)18(24)21-11-15-8-5-9-20-19(15)25-13-14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94186224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).