N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

C19H23N5O3 — CID 78153133

IUPACN-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESCc1ncc(C(CNC(=O)C2COc3ncccc32)N2CCOCC2)cn1
InChIInChI=1S/C19H23N5O3/c1-13-21-9-14(10-22-13)17(24-5-7-26-8-6-24)11-23-18(25)16-12-27-19-15(16)3-2-4-20-19/h2-4,9-10,16-17H,5-8,11-12H2,1H3,(H,23,25)
InChIKeyVUNGWDMBWWWJRH-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.85
Rot. Bonds5

About N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (PubChem CID 78153133) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
PubChem CID78153133
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESCc1ncc(C(CNC(=O)C2COc3ncccc32)N2CCOCC2)cn1
InChIInChI=1S/C19H23N5O3/c1-13-21-9-14(10-22-13)17(24-5-7-26-8-6-24)11-23-18(25)16-12-27-19-15(16)3-2-4-20-19/h2-4,9-10,16-17H,5-8,11-12H2,1H3,(H,23,25)
InChIKeyVUNGWDMBWWWJRH-UHFFFAOYSA-N
XLogP0.85
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (CID 78153133) is N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is Cc1ncc(C(CNC(=O)C2COc3ncccc32)N2CCOCC2)cn1.
What is the InChIKey of N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is VUNGWDMBWWWJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-21-9-14(10-22-13)17(24-5-7-26-8-6-24)11-23-18(25)16-12-27-19-15(16)3-2-4-20-19/h2-4,9-10,16-17H,5-8,11-12H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 78153133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).