methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate

C17H19N3O3 — CID 167875306

IUPACmethyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate
SMILESC=CCOC1CCN(c2nc(C(=O)OC)cc3ccncc23)C1
InChIInChI=1S/C17H19N3O3/c1-3-8-23-13-5-7-20(11-13)16-14-10-18-6-4-12(14)9-15(19-16)17(21)22-2/h3-4,6,9-10,13H,1,5,7-8,11H2,2H3
InChIKeyLALPCMFCPSLTNW-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.20
Rot. Bonds5

About methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate

methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate (PubChem CID 167875306) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate
PubChem CID167875306
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namemethyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate
SMILESC=CCOC1CCN(c2nc(C(=O)OC)cc3ccncc23)C1
InChIInChI=1S/C17H19N3O3/c1-3-8-23-13-5-7-20(11-13)16-14-10-18-6-4-12(14)9-15(19-16)17(21)22-2/h3-4,6,9-10,13H,1,5,7-8,11H2,2H3
InChIKeyLALPCMFCPSLTNW-UHFFFAOYSA-N
XLogP2.20
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate
CID 133465271
6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide
CID 133465341
2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one
CID 137257515
methyl 6-(3-ethoxypiperidin-1-yl)pyrazine-2-carboxylate
CID 66451057
methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 103534307
8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline
CID 133465474
4-chloro-2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
CID 133465338
4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
CID 133465389
N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine
CID 133465344
ethyl 1-bromo-2,7-naphthyridine-3-carboxylate
CID 71748439
methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854
methyl 6-fluoroisoquinoline-8-carboxylate
CID 122163275

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate?
The IUPAC name of methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate (CID 167875306) is methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate is C=CCOC1CCN(c2nc(C(=O)OC)cc3ccncc23)C1.
What is the InChIKey of methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate?
The InChIKey is LALPCMFCPSLTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-8-23-13-5-7-20(11-13)16-14-10-18-6-4-12(14)9-15(19-16)17(21)22-2/h3-4,6,9-10,13H,1,5,7-8,11H2,2H3.
What are the key properties of methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate?
methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-prop-2-enoxypyrrolidin-1-yl)-2,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 167875306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).