2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate

C21H30N4O3 — CID 68852328

IUPAC2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate
SMILESCOc1ccc2nccc(CCN3CCC(N(C)C(=O)OCC(C)C)C3)c2n1
InChIInChI=1S/C21H30N4O3/c1-15(2)14-28-21(26)24(3)17-9-12-25(13-17)11-8-16-7-10-22-18-5-6-19(27-4)23-20(16)18/h5-7,10,15,17H,8-9,11-14H2,1-4H3
InChIKeyGRKUWSWDNPYSHF-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.98
Rot. Bonds7

About 2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate

2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate (PubChem CID 68852328) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate
PubChem CID68852328
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate
SMILESCOc1ccc2nccc(CCN3CCC(N(C)C(=O)OCC(C)C)C3)c2n1
InChIInChI=1S/C21H30N4O3/c1-15(2)14-28-21(26)24(3)17-9-12-25(13-17)11-8-16-7-10-22-18-5-6-19(27-4)23-20(16)18/h5-7,10,15,17H,8-9,11-14H2,1-4H3
InChIKeyGRKUWSWDNPYSHF-UHFFFAOYSA-N
XLogP2.98
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-1-methylhydrazine
CID 58919507
[(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 59026168
8-[2-(3-ethylpyrrolidin-1-yl)ethyl]-2-methoxy-1,5-naphthyridine
CID 71178673
4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline
CID 165017215
benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 59026158
tert-butyl N-[3-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-azabicyclo[4.1.0]heptan-6-yl]carbamate
CID 59776917
(3S,4S)-4-[[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol
CID 11677117
(2R)-1-[(3S)-3-ethenyl-1-heptylpiperidin-4-yl]-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol
CID 70206484
(Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine
CID 154685077
8-(2-cyclohexylethyl)-2-methoxy-1,5-naphthyridine
CID 68566539
1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine
CID 143159535
1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 70898198

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate?
The IUPAC name of 2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate (CID 68852328) is 2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for 2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate?
The canonical SMILES for 2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate is COc1ccc2nccc(CCN3CCC(N(C)C(=O)OCC(C)C)C3)c2n1.
What is the InChIKey of 2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate?
The InChIKey is GRKUWSWDNPYSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-15(2)14-28-21(26)24(3)17-9-12-25(13-17)11-8-16-7-10-22-18-5-6-19(27-4)23-20(16)18/h5-7,10,15,17H,8-9,11-14H2,1-4H3.
What are the key properties of 2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate?
2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate has a molecular weight of 386.50 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 68852328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).