methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate

C14H21N3O2 — CID 134069810

IUPACmethyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate
SMILESCCN(CC)c1ncc2c(c1C(=O)OC)CCNC2
InChIInChI=1S/C14H21N3O2/c1-4-17(5-2)13-12(14(18)19-3)11-6-7-15-8-10(11)9-16-13/h9,15H,4-8H2,1-3H3
InChIKeyCYHXPTMJGBBYSV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.36
Rot. Bonds4

About methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate

methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate (PubChem CID 134069810) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate
PubChem CID134069810
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate
SMILESCCN(CC)c1ncc2c(c1C(=O)OC)CCNC2
InChIInChI=1S/C14H21N3O2/c1-4-17(5-2)13-12(14(18)19-3)11-6-7-15-8-10(11)9-16-13/h9,15H,4-8H2,1-3H3
InChIKeyCYHXPTMJGBBYSV-UHFFFAOYSA-N
XLogP1.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate
CID 102808371
methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 90396396
methyl 4-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-ylamino)benzoate
CID 170324606
methyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 170899608
methyl 2-(2H-triazole-4-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 63283108
methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CID 138987651
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
methyl 2-(1H-pyrazole-4-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 43599773
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pentanamide
CID 70770851
methyl 5-amino-3-(diethylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808571
methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 141442013
methyl 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 105462928

Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate (CID 134069810) is methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate is CCN(CC)c1ncc2c(c1C(=O)OC)CCNC2.
What is the InChIKey of methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate?
The InChIKey is CYHXPTMJGBBYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-17(5-2)13-12(14(18)19-3)11-6-7-15-8-10(11)9-16-13/h9,15H,4-8H2,1-3H3.
What are the key properties of methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate?
methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 134069810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).