(2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide

C19H21N3O4 — CID 110198269

IUPAC(2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccc(OC)nc1
InChIInChI=1S/C19H21N3O4/c1-20-18(23)16-10-15(26-14-6-4-3-5-7-14)12-22(16)19(24)13-8-9-17(25-2)21-11-13/h3-9,11,15-16H,10,12H2,1-2H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyOHUYUSTXHIMYQX-HOTGVXAUSA-N
MW355.39 g/mol
LogP1.50
Rot. Bonds5

About (2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide

(2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 110198269) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
PubChem CID110198269
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccc(OC)nc1
InChIInChI=1S/C19H21N3O4/c1-20-18(23)16-10-15(26-14-6-4-3-5-7-14)12-22(16)19(24)13-8-9-17(25-2)21-11-13/h3-9,11,15-16H,10,12H2,1-2H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyOHUYUSTXHIMYQX-HOTGVXAUSA-N
XLogP1.50
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

VU0404251
CID 58368068
4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine
CID 153835401
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-phenoxypyridine-3-carboxamide
CID 9870203
9P7ZX5Bwv8
CID 9904911
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771416
N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226866
[(S)-1-((S)-2-{(S)-3,3-Difluoro-1-isopropyl-2-oxo-4-[(pyridine-3-carbonyl)-amino]-butylcarbamoyl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid phenyl ester
CID 10579493
2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1,4-diazepan-1-yl)ethyl)nicotinamide
CID 44579229
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-phenoxypyridine-3-carboxamide
CID 44586098
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenoxypyridine-3-carboxamide
CID 44586133
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2985341
Pyridine-2-carboxylic acid [3-(4-isopropoxy-benzoylamino)-propyl]-amide
CID 2985370

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide (CID 110198269) is (2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccc(OC)nc1.
What is the InChIKey of (2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is OHUYUSTXHIMYQX-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-20-18(23)16-10-15(26-14-6-4-3-5-7-14)12-22(16)19(24)13-8-9-17(25-2)21-11-13/h3-9,11,15-16H,10,12H2,1-2H3,(H,20,23)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
(2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(6-methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).