tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate

C24H36N4O2Sn — CID 168978161

IUPACtert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2ccc3nc([Sn](C)(C)C)ccc3n2)C1
InChIInChI=1S/C21H27N4O2.3CH3.Sn/c1-21(2,3)27-20(26)25(13-15-6-7-15)16-10-12-24(14-16)19-9-8-17-18(23-19)5-4-11-22-17;;;;/h4-5,8-9,15-16H,6-7,10,12-14H2,1-3H3;3*1H3;
InChIKeyNNKTZCZWUMSHAR-UHFFFAOYSA-N
MW531.29 g/mol
LogP4.40
Rot. Bonds5

About tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate (PubChem CID 168978161) has the molecular formula C24H36N4O2Sn and a molecular weight of 531.29 g/mol. Its IUPAC name is tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate
PubChem CID168978161
Molecular FormulaC24H36N4O2Sn
Molecular Weight531.29 g/mol
Exact Mass532.19
IUPAC Nametert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2ccc3nc([Sn](C)(C)C)ccc3n2)C1
InChIInChI=1S/C21H27N4O2.3CH3.Sn/c1-21(2,3)27-20(26)25(13-15-6-7-15)16-10-12-24(14-16)19-9-8-17-18(23-19)5-4-11-22-17;;;;/h4-5,8-9,15-16H,6-7,10,12-14H2,1-3H3;3*1H3;
InChIKeyNNKTZCZWUMSHAR-UHFFFAOYSA-N
XLogP4.40
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.29
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(cyclopropylmethyl)-N-[1-[6-[4-fluoro-5-(methoxymethoxy)-2-methyl-1,3-benzoxazol-6-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate
CID 168977783
tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate
CID 162433725
[6-[(3R)-3-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]quinoxalin-2-yl] trifluoromethanesulfonate
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N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine
CID 162433618
5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid
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6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
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tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate
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tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate
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tert-butyl N-ethyl-N-[1-[4-(thiaziridin-2-yl)phenyl]pyrrolidin-3-yl]carbamate
CID 143125201
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
tert-butyl N-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-N-(3-fluorocyclobutyl)carbamate
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tert-butyl N-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-N-(3,3-difluorocyclobutyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate (CID 168978161) is tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2ccc3nc([Sn](C)(C)C)ccc3n2)C1.
What is the InChIKey of tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is NNKTZCZWUMSHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N4O2.3CH3.Sn/c1-21(2,3)27-20(26)25(13-15-6-7-15)16-10-12-24(14-16)19-9-8-17-18(23-19)5-4-11-22-17;;;;/h4-5,8-9,15-16H,6-7,10,12-14H2,1-3H3;3*1H3;.
What are the key properties of tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 531.29 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 168978161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).