[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid

C12H17N3O3 — CID 68718148

IUPAC[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid
SMILESCC[C@H]1C[C@@H](NC(=O)O)c2nc(OC)ccc2N1
InChIInChI=1S/C12H17N3O3/c1-3-7-6-9(14-12(16)17)11-8(13-7)4-5-10(15-11)18-2/h4-5,7,9,13-14H,3,6H2,1-2H3,(H,16,17)/t7-,9+/m0/s1
InChIKeyPTRXAECXPRPKQL-IONNQARKSA-N
MW251.29 g/mol
LogP1.99
Rot. Bonds3

About [(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid

[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid (PubChem CID 68718148) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid
PubChem CID68718148
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid
SMILESCC[C@H]1C[C@@H](NC(=O)O)c2nc(OC)ccc2N1
InChIInChI=1S/C12H17N3O3/c1-3-7-6-9(14-12(16)17)11-8(13-7)4-5-10(15-11)18-2/h4-5,7,9,13-14H,3,6H2,1-2H3,(H,16,17)/t7-,9+/m0/s1
InChIKeyPTRXAECXPRPKQL-IONNQARKSA-N
XLogP1.99
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid with MolForge

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Related Compounds

[(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate
CID 86610669
2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide
CID 68898719
ethyl 1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]amino]pyrimidin-5-yl]piperidine-4-carboxylate
CID 86610679
methyl N-[(2R,4S)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate
CID 58639253
benzyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]carbamate
CID 154717658
(2,6-dimethoxy-3-pyridinyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
CID 141102111
6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid
CID 67075939
benzyl N-[(2S,3R,4R)-2-cyclopropyl-6-methoxy-3-methyl-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate
CID 142798871
ethyl (2R,4S)-4-[(5-bromopyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 68716612
4-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
CID 114512460
3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one
CID 53414723
2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine;hydrochloride
CID 86724701

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid?
The IUPAC name of [(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid (CID 68718148) is [(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid.
What is the SMILES notation for [(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid?
The canonical SMILES for [(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid is CC[C@H]1C[C@@H](NC(=O)O)c2nc(OC)ccc2N1.
What is the InChIKey of [(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid?
The InChIKey is PTRXAECXPRPKQL-IONNQARKSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-7-6-9(14-12(16)17)11-8(13-7)4-5-10(15-11)18-2/h4-5,7,9,13-14H,3,6H2,1-2H3,(H,16,17)/t7-,9+/m0/s1.
What are the key properties of [(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid?
[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid has a molecular weight of 251.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamic acid is sourced from PubChem (CID 68718148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).