[2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate

C19H26N4O2 — CID 175014589

IUPAC[2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate
SMILESCc1ncc(N2C[C@H](CC(C)(C)OC(N)=O)[C@@H](C)C2)c2cccnc12
InChIInChI=1S/C19H26N4O2/c1-12-10-23(11-14(12)8-19(3,4)25-18(20)24)16-9-22-13(2)17-15(16)6-5-7-21-17/h5-7,9,12,14H,8,10-11H2,1-4H3,(H2,20,24)/t12-,14-/m0/s1
InChIKeyULHWIZQDRONWOQ-JSGCOSHPSA-N
MW342.44 g/mol
LogP3.27
Rot. Bonds4

About [2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate

[2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate (PubChem CID 175014589) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate
PubChem CID175014589
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate
SMILESCc1ncc(N2C[C@H](CC(C)(C)OC(N)=O)[C@@H](C)C2)c2cccnc12
InChIInChI=1S/C19H26N4O2/c1-12-10-23(11-14(12)8-19(3,4)25-18(20)24)16-9-22-13(2)17-15(16)6-5-7-21-17/h5-7,9,12,14H,8,10-11H2,1-4H3,(H2,20,24)/t12-,14-/m0/s1
InChIKeyULHWIZQDRONWOQ-JSGCOSHPSA-N
XLogP3.27
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide
CID 129241169
(1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
CID 160511355
1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
CID 147736630
2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide
CID 129240789
tert-butyl 2-[(3S,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]acetate
CID 158758384
tert-butyl N-[(3R,5S)-1-(8-methoxy-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 146329112
4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
CID 174114905
tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate
CID 75537190
N-[(3R,5S)-1-(8-methoxyquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 129240952
tert-butyl 6-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-5-oxohexanoate
CID 161485665
tert-butyl 1-(acetyloxymethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinoline-3-carboxylate
CID 11279796
tert-butyl N-[(5S)-1-(8-ethenylquinolin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 145336533

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate?
The IUPAC name of [2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate (CID 175014589) is [2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate?
The canonical SMILES for [2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate is Cc1ncc(N2C[C@H](CC(C)(C)OC(N)=O)[C@@H](C)C2)c2cccnc12.
What is the InChIKey of [2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate?
The InChIKey is ULHWIZQDRONWOQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-10-23(11-14(12)8-19(3,4)25-18(20)24)16-9-22-13(2)17-15(16)6-5-7-21-17/h5-7,9,12,14H,8,10-11H2,1-4H3,(H2,20,24)/t12-,14-/m0/s1.
What are the key properties of [2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate?
[2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate has a molecular weight of 342.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate is sourced from PubChem (CID 175014589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).