tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

C14H18N2O3 — CID 162342912

IUPACtert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2ncccc2CC1C=O
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-8-12-10(5-4-6-15-12)7-11(16)9-17/h4-6,9,11H,7-8H2,1-3H3
InChIKeySFQZNBFKWKGJLL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.94
Rot. Bonds1

About tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (PubChem CID 162342912) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
PubChem CID162342912
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nametert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2ncccc2CC1C=O
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-8-12-10(5-4-6-15-12)7-11(16)9-17/h4-6,9,11H,7-8H2,1-3H3
InChIKeySFQZNBFKWKGJLL-UHFFFAOYSA-N
XLogP1.94
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 142416957
tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate
CID 130250817
tert-butyl 8-(aminomethyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 171786850
tert-butyl 2-pyrimidin-2-ylazetidine-1-carboxylate
CID 162700486
tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 122364870
tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 71700032
tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175851
2-[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetate
CID 7145130
tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 59566496
tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320
tert-butyl 2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 156848237
tert-butyl 5-bromo-3-formyl-8-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 87658549

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The IUPAC name of tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (CID 162342912) is tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.
What is the SMILES notation for tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The canonical SMILES for tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is CC(C)(C)OC(=O)N1Cc2ncccc2CC1C=O.
What is the InChIKey of tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The InChIKey is SFQZNBFKWKGJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-8-12-10(5-4-6-15-12)7-11(16)9-17/h4-6,9,11H,7-8H2,1-3H3.
What are the key properties of tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is sourced from PubChem (CID 162342912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).