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

C21H25N5O3 — CID 71699498

IUPACN-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC(c1cnc(C2CC2)nc1)N1CCOCC1)C1COc2ncccc21
InChIInChI=1S/C21H25N5O3/c27-20(17-13-29-21-16(17)2-1-5-22-21)25-12-18(26-6-8-28-9-7-26)15-10-23-19(24-11-15)14-3-4-14/h1-2,5,10-11,14,17-18H,3-4,6-9,12-13H2,(H,25,27)
InChIKeyUUSNDWTVEVANBB-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.41
Rot. Bonds6

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

N-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (PubChem CID 71699498) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
PubChem CID71699498
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC(c1cnc(C2CC2)nc1)N1CCOCC1)C1COc2ncccc21
InChIInChI=1S/C21H25N5O3/c27-20(17-13-29-21-16(17)2-1-5-22-21)25-12-18(26-6-8-28-9-7-26)15-10-23-19(24-11-15)14-3-4-14/h1-2,5,10-11,14,17-18H,3-4,6-9,12-13H2,(H,25,27)
InChIKeyUUSNDWTVEVANBB-UHFFFAOYSA-N
XLogP1.41
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (CID 71699498) is N-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is O=C(NCC(c1cnc(C2CC2)nc1)N1CCOCC1)C1COc2ncccc21.
What is the InChIKey of N-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is UUSNDWTVEVANBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-20(17-13-29-21-16(17)2-1-5-22-21)25-12-18(26-6-8-28-9-7-26)15-10-23-19(24-11-15)14-3-4-14/h1-2,5,10-11,14,17-18H,3-4,6-9,12-13H2,(H,25,27).
What are the key properties of N-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
N-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylpyrimidin-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 71699498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).