3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

C18H26N4O3 — CID 91396664

IUPAC3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCC1CCOCC1)C1=C2C=CC=CN2C(N2CCOCC2)N1
InChIInChI=1S/C18H26N4O3/c23-17(19-13-14-4-9-24-10-5-14)16-15-3-1-2-6-22(15)18(20-16)21-7-11-25-12-8-21/h1-3,6,14,18,20H,4-5,7-13H2,(H,19,23)
InChIKeyAHRACCXXIHCPSE-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.35
Rot. Bonds4

About 3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 91396664) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID91396664
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCC1CCOCC1)C1=C2C=CC=CN2C(N2CCOCC2)N1
InChIInChI=1S/C18H26N4O3/c23-17(19-13-14-4-9-24-10-5-14)16-15-3-1-2-6-22(15)18(20-16)21-7-11-25-12-8-21/h1-3,6,14,18,20H,4-5,7-13H2,(H,19,23)
InChIKeyAHRACCXXIHCPSE-UHFFFAOYSA-N
XLogP0.35
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (CID 91396664) is 3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is O=C(NCC1CCOCC1)C1=C2C=CC=CN2C(N2CCOCC2)N1.
What is the InChIKey of 3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is AHRACCXXIHCPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17(19-13-14-4-9-24-10-5-14)16-15-3-1-2-6-22(15)18(20-16)21-7-11-25-12-8-21/h1-3,6,14,18,20H,4-5,7-13H2,(H,19,23).
What are the key properties of 3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(oxan-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 91396664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).