(6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone

C19H19N5O2 — CID 99986952

IUPAC(6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cn1
InChIInChI=1S/C19H19N5O2/c1-26-18-8-7-15(11-20-18)19(25)23-10-9-16(12-23)24-13-17(21-22-24)14-5-3-2-4-6-14/h2-8,11,13,16H,9-10,12H2,1H3/t16-/m1/s1
InChIKeyYAEFUKKJPRMNDL-MRXNPFEDSA-N
MW349.39 g/mol
LogP2.44
Rot. Bonds4

About (6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone

(6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 99986952) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID99986952
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cn1
InChIInChI=1S/C19H19N5O2/c1-26-18-8-7-15(11-20-18)19(25)23-10-9-16(12-23)24-13-17(21-22-24)14-5-3-2-4-6-14/h2-8,11,13,16H,9-10,12H2,1H3/t16-/m1/s1
InChIKeyYAEFUKKJPRMNDL-MRXNPFEDSA-N
XLogP2.44
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149874
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121150019
(4-tert-butylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150086
(2,6-dimethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149915
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894
naphthalen-2-yl-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150080
(3-methylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150088
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 86264897
(3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150004
5-[1-(1-benzylpyrrolidin-3-yl)triazol-4-yl]-2-methoxypyridine
CID 72921380
5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine
CID 97206207
(1-methylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150009

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone (CID 99986952) is (6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YAEFUKKJPRMNDL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-26-18-8-7-15(11-20-18)19(25)23-10-9-16(12-23)24-13-17(21-22-24)14-5-3-2-4-6-14/h2-8,11,13,16H,9-10,12H2,1H3/t16-/m1/s1.
What are the key properties of (6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
(6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 349.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99986952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).