3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide

C21H20N2O3 — CID 167792027

IUPAC3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C=O)n3c2CCCC3)c2ccccc12
InChIInChI=1S/C21H20N2O3/c1-26-20-10-9-18(15-6-2-3-7-16(15)20)22-21(25)17-12-14(13-24)23-11-5-4-8-19(17)23/h2-3,6-7,9-10,12-13H,4-5,8,11H2,1H3,(H,22,25)
InChIKeyRPFWHBYANPOTEB-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.05
Rot. Bonds4

About 3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide

3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 167792027) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound Name3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID167792027
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C=O)n3c2CCCC3)c2ccccc12
InChIInChI=1S/C21H20N2O3/c1-26-20-10-9-18(15-6-2-3-7-16(15)20)22-21(25)17-12-14(13-24)23-11-5-4-8-19(17)23/h2-3,6-7,9-10,12-13H,4-5,8,11H2,1H3,(H,22,25)
InChIKeyRPFWHBYANPOTEB-UHFFFAOYSA-N
XLogP4.05
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 122164337
N-(2-chlorophenyl)-4-methoxynaphthalene-1-carboxamide
CID 110169740
N-(4-methoxynaphthalen-1-yl)-4-phenylbenzamide
CID 1190439
4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 2332529
1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 150526455
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 11647671
N-(4-methoxynaphthalen-1-yl)-1-phenylcyclopropane-1-carboxamide
CID 100782309
4-methoxy-N-(5-piperidin-1-yl-2-pyridinyl)naphthalene-1-carboxamide
CID 112827556
N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
CID 7533068
N-(3,4-dimethoxyphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904425
N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132566

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of 3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 167792027) is 3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for 3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for 3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide is COc1ccc(NC(=O)c2cc(C=O)n3c2CCCC3)c2ccccc12.
What is the InChIKey of 3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is RPFWHBYANPOTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-26-20-10-9-18(15-6-2-3-7-16(15)20)22-21(25)17-12-14(13-24)23-11-5-4-8-19(17)23/h2-3,6-7,9-10,12-13H,4-5,8,11H2,1H3,(H,22,25).
What are the key properties of 3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide?
3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N-(4-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 167792027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).