3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde

C15H21N3O3 — CID 86637676

IUPAC3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
SMILESCc1c(C=O)[nH]c2c1C(=O)N(CCN1CCOCC1)CC2
InChIInChI=1S/C15H21N3O3/c1-11-13(10-19)16-12-2-3-18(15(20)14(11)12)5-4-17-6-8-21-9-7-17/h10,16H,2-9H2,1H3
InChIKeyIRDRCCMGPGDEIG-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.47
Rot. Bonds4

About 3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde

3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde (PubChem CID 86637676) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
PubChem CID86637676
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
SMILESCc1c(C=O)[nH]c2c1C(=O)N(CCN1CCOCC1)CC2
InChIInChI=1S/C15H21N3O3/c1-11-13(10-19)16-12-2-3-18(15(20)14(11)12)5-4-17-6-8-21-9-7-17/h10,16H,2-9H2,1H3
InChIKeyIRDRCCMGPGDEIG-UHFFFAOYSA-N
XLogP0.47
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde?
The IUPAC name of 3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde (CID 86637676) is 3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde?
The canonical SMILES for 3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde is Cc1c(C=O)[nH]c2c1C(=O)N(CCN1CCOCC1)CC2.
What is the InChIKey of 3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde?
The InChIKey is IRDRCCMGPGDEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-13(10-19)16-12-2-3-18(15(20)14(11)12)5-4-17-6-8-21-9-7-17/h10,16H,2-9H2,1H3.
What are the key properties of 3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde?
3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde has a molecular weight of 291.35 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 86637676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).