(6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone

C16H18N4O2 — CID 53185384

IUPAC(6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Nc3cccnc3)C2)cn1
InChIInChI=1S/C16H18N4O2/c1-22-15-5-4-12(9-18-15)16(21)20-8-6-14(11-20)19-13-3-2-7-17-10-13/h2-5,7,9-10,14,19H,6,8,11H2,1H3
InChIKeyQOJYVOIMLWZUPS-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.81
Rot. Bonds4

About (6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone

(6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 53185384) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
PubChem CID53185384
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Nc3cccnc3)C2)cn1
InChIInChI=1S/C16H18N4O2/c1-22-15-5-4-12(9-18-15)16(21)20-8-6-14(11-20)19-13-3-2-7-17-10-13/h2-5,7,9-10,14,19H,6,8,11H2,1H3
InChIKeyQOJYVOIMLWZUPS-UHFFFAOYSA-N
XLogP1.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (CID 53185384) is (6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Nc3cccnc3)C2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is QOJYVOIMLWZUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-15-5-4-12(9-18-15)16(21)20-8-6-14(11-20)19-13-3-2-7-17-10-13/h2-5,7,9-10,14,19H,6,8,11H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
(6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 53185384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).