tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate

C20H25ClN4O2 — CID 162433725

IUPACtert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CC1)C1CCN(c2ccc3nc(Cl)ccc3n2)C1
InChIInChI=1S/C20H25ClN4O2/c1-20(2,3)27-19(26)25(13-4-5-13)14-10-11-24(12-14)18-9-7-15-16(23-18)6-8-17(21)22-15/h6-9,13-14H,4-5,10-12H2,1-3H3
InChIKeyRJLNNMBIHXZVDI-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.26
Rot. Bonds3

About tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate

tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate (PubChem CID 162433725) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate
PubChem CID162433725
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Nametert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CC1)C1CCN(c2ccc3nc(Cl)ccc3n2)C1
InChIInChI=1S/C20H25ClN4O2/c1-20(2,3)27-19(26)25(13-4-5-13)14-10-11-24(12-14)18-9-7-15-16(23-18)6-8-17(21)22-15/h6-9,13-14H,4-5,10-12H2,1-3H3
InChIKeyRJLNNMBIHXZVDI-UHFFFAOYSA-N
XLogP4.26
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-N-(3-fluorocyclobutyl)carbamate
CID 167503935
tert-butyl N-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-N-(3,3-difluorocyclobutyl)carbamate
CID 167504022
CID 175963719
CID 175963719
tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate
CID 168978161
lithium tert-butyl N-cyclopropyl-N-[(3R)-1-[5-(oxomethyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 175506318
tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 168891834
6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
CID 175506304
tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate
CID 97166923
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
CID 168977584
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 71648616

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate (CID 162433725) is tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate is CC(C)(C)OC(=O)N(C1CC1)C1CCN(c2ccc3nc(Cl)ccc3n2)C1.
What is the InChIKey of tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate?
The InChIKey is RJLNNMBIHXZVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-20(2,3)27-19(26)25(13-4-5-13)14-10-11-24(12-14)18-9-7-15-16(23-18)6-8-17(21)22-15/h6-9,13-14H,4-5,10-12H2,1-3H3.
What are the key properties of tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate?
tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate has a molecular weight of 388.90 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate is sourced from PubChem (CID 162433725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).