tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate

C18H24N4O3 — CID 168978264

IUPACtert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cnc3[nH]c(=O)ccc3c2)C1
InChIInChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)21(4)13-7-8-22(11-13)14-9-12-5-6-15(23)20-16(12)19-10-14/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,19,20,23)/t13-/m1/s1
InChIKeyIEXXRZQBCAPACN-CYBMUJFWSA-N
MW344.42 g/mol
LogP2.37
Rot. Bonds2

About tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate (PubChem CID 168978264) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate
PubChem CID168978264
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nametert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cnc3[nH]c(=O)ccc3c2)C1
InChIInChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)21(4)13-7-8-22(11-13)14-9-12-5-6-15(23)20-16(12)19-10-14/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,19,20,23)/t13-/m1/s1
InChIKeyIEXXRZQBCAPACN-CYBMUJFWSA-N
XLogP2.37
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3S,4R)-4-fluoro-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 168978496
6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one
CID 168978283
tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate
CID 168978985
tert-butyl N-[(3R)-1-[6-(1-adamantylamino)pyridazin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 67087696
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 97166895
tert-butyl N-[(3R)-1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 131741485
6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
CID 175506304
tert-butyl N-[(3R)-1-[4-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 173094586
tert-butyl N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 170132149
tert-butyl N-[1-[2,6-bis(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate
CID 103595911
tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate
CID 97166923

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate (CID 168978264) is tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cnc3[nH]c(=O)ccc3c2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is IEXXRZQBCAPACN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)21(4)13-7-8-22(11-13)14-9-12-5-6-15(23)20-16(12)19-10-14/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,19,20,23)/t13-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 344.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 168978264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).