N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide

C20H18N4O2 — CID 134808419

IUPACN-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide
SMILESCNC(=O)c1cccc(-c2cnc(Nc3cccnc3)c3c2CCO3)c1
InChIInChI=1S/C20H18N4O2/c1-21-20(25)14-5-2-4-13(10-14)17-12-23-19(18-16(17)7-9-26-18)24-15-6-3-8-22-11-15/h2-6,8,10-12H,7,9H2,1H3,(H,21,25)(H,23,24)
InChIKeyJTMHWNLJFBHXNB-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.18
Rot. Bonds4

About N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide

N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide (PubChem CID 134808419) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide
PubChem CID134808419
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide
SMILESCNC(=O)c1cccc(-c2cnc(Nc3cccnc3)c3c2CCO3)c1
InChIInChI=1S/C20H18N4O2/c1-21-20(25)14-5-2-4-13(10-14)17-12-23-19(18-16(17)7-9-26-18)24-15-6-3-8-22-11-15/h2-6,8,10-12H,7,9H2,1H3,(H,21,25)(H,23,24)
InChIKeyJTMHWNLJFBHXNB-UHFFFAOYSA-N
XLogP3.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide?
The IUPAC name of N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide (CID 134808419) is N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide.
What is the SMILES notation for N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide?
The canonical SMILES for N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide is CNC(=O)c1cccc(-c2cnc(Nc3cccnc3)c3c2CCO3)c1.
What is the InChIKey of N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide?
The InChIKey is JTMHWNLJFBHXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-21-20(25)14-5-2-4-13(10-14)17-12-23-19(18-16(17)7-9-26-18)24-15-6-3-8-22-11-15/h2-6,8,10-12H,7,9H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide?
N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[7-(pyridin-3-ylamino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]benzamide is sourced from PubChem (CID 134808419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).