N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide

C19H30N6O3 — CID 10194141

IUPACN-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide
SMILESCCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)N1CCOCC1
InChIInChI=1S/C19H30N6O3/c1-3-27-13-16-23-17-15(12-14(2)22-18(17)20)25(16)7-5-4-6-21-19(26)24-8-10-28-11-9-24/h12H,3-11,13H2,1-2H3,(H2,20,22)(H,21,26)
InChIKeyCSOCSDKWCKYIQQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP1.68
Rot. Bonds8

About N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide

N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide (PubChem CID 10194141) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide
PubChem CID10194141
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC NameN-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide
SMILESCCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)N1CCOCC1
InChIInChI=1S/C19H30N6O3/c1-3-27-13-16-23-17-15(12-14(2)22-18(17)20)25(16)7-5-4-6-21-19(26)24-8-10-28-11-9-24/h12H,3-11,13H2,1-2H3,(H2,20,22)(H,21,26)
InChIKeyCSOCSDKWCKYIQQ-UHFFFAOYSA-N
XLogP1.68
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide (CID 10194141) is N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide is CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)N1CCOCC1.
What is the InChIKey of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide?
The InChIKey is CSOCSDKWCKYIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O3/c1-3-27-13-16-23-17-15(12-14(2)22-18(17)20)25(16)7-5-4-6-21-19(26)24-8-10-28-11-9-24/h12H,3-11,13H2,1-2H3,(H2,20,22)(H,21,26).
What are the key properties of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide?
N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide is sourced from PubChem (CID 10194141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).