(2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone

C17H20N4O3 — CID 53185332

IUPAC(2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Nc3cccnc3)C2)c(OC)n1
InChIInChI=1S/C17H20N4O3/c1-23-15-6-5-14(16(20-15)24-2)17(22)21-9-7-13(11-21)19-12-4-3-8-18-10-12/h3-6,8,10,13,19H,7,9,11H2,1-2H3
InChIKeyXQRFMHUINFMIFO-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.82
Rot. Bonds5

About (2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone

(2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 53185332) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
PubChem CID53185332
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Nc3cccnc3)C2)c(OC)n1
InChIInChI=1S/C17H20N4O3/c1-23-15-6-5-14(16(20-15)24-2)17(22)21-9-7-13(11-21)19-12-4-3-8-18-10-12/h3-6,8,10,13,19H,7,9,11H2,1-2H3
InChIKeyXQRFMHUINFMIFO-UHFFFAOYSA-N
XLogP1.82
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (CID 53185332) is (2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Nc3cccnc3)C2)c(OC)n1.
What is the InChIKey of (2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is XQRFMHUINFMIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-15-6-5-14(16(20-15)24-2)17(22)21-9-7-13(11-21)19-12-4-3-8-18-10-12/h3-6,8,10,13,19H,7,9,11H2,1-2H3.
What are the key properties of (2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
(2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 53185332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).