(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C18H19N3O3 — CID 110199060

IUPAC(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCc1cccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(N)=O)c1
InChIInChI=1S/C18H19N3O3/c1-12-4-2-5-13(8-12)18(23)21-11-15(9-16(21)17(19)22)24-14-6-3-7-20-10-14/h2-8,10,15-16H,9,11H2,1H3,(H2,19,22)/t15-,16-/m0/s1
InChIKeyGUORQKVQDZUKOL-HOTGVXAUSA-N
MW325.37 g/mol
LogP1.54
Rot. Bonds4

About (2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110199060) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110199060
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCc1cccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(N)=O)c1
InChIInChI=1S/C18H19N3O3/c1-12-4-2-5-13(8-12)18(23)21-11-15(9-16(21)17(19)22)24-14-6-3-7-20-10-14/h2-8,10,15-16H,9,11H2,1H3,(H2,19,22)/t15-,16-/m0/s1
InChIKeyGUORQKVQDZUKOL-HOTGVXAUSA-N
XLogP1.54
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198632
(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199067
(2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199088
[(2S,4S)-4-pyridin-3-yloxy-1-(quinoline-6-carbonyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198913
(2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198722
[(2S,4S)-1-(4-methoxybenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198878
(3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131677755
[(2S,4S)-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198873
(2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198976
[(2S,4S)-4-pyridin-3-yloxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198902
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate
CID 57169816

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110199060) is (2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is Cc1cccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(N)=O)c1.
What is the InChIKey of (2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is GUORQKVQDZUKOL-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-4-2-5-13(8-12)18(23)21-11-15(9-16(21)17(19)22)24-14-6-3-7-20-10-14/h2-8,10,15-16H,9,11H2,1H3,(H2,19,22)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110199060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).