tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate

C16H24ClN3O2 — CID 103910163

IUPACtert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1Nc1cnccc1Cl
InChIInChI=1S/C16H24ClN3O2/c1-16(2,3)22-15(21)19-9-11-5-4-6-13(11)20-14-10-18-8-7-12(14)17/h7-8,10-11,13,20H,4-6,9H2,1-3H3,(H,19,21)
InChIKeyJOWRYUPPEWCFMG-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.84
Rot. Bonds4

About tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate (PubChem CID 103910163) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate
PubChem CID103910163
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Nametert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1Nc1cnccc1Cl
InChIInChI=1S/C16H24ClN3O2/c1-16(2,3)22-15(21)19-9-11-5-4-6-13(11)20-14-10-18-8-7-12(14)17/h7-8,10-11,13,20H,4-6,9H2,1-3H3,(H,19,21)
InChIKeyJOWRYUPPEWCFMG-UHFFFAOYSA-N
XLogP3.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-(2-chloroanilino)cyclopentyl]methyl]carbamate
CID 103695578
tert-butyl N-[[2-(2-iodoanilino)cyclopentyl]methyl]carbamate
CID 103695647
tert-butyl N-[[2-(2,5-difluoroanilino)cyclopentyl]methyl]carbamate
CID 103695556
tert-butyl N-[[2-(2-fluoroanilino)cyclohexyl]methyl]carbamate
CID 103695367
tert-butyl N-[[2-(4-iodoanilino)cyclopentyl]methyl]carbamate
CID 103695645
tert-butyl N-[[2-(2-bromo-4-fluoroanilino)cyclopentyl]methyl]carbamate
CID 103695639
tert-butyl N-[[2-(4-fluoro-2-iodoanilino)cyclopentyl]methyl]carbamate
CID 103731044
tert-butyl N-[[2-(2,6-dibromoanilino)cyclopentyl]methyl]carbamate
CID 107597176
tert-butyl N-[[2-(4-fluoroanilino)cyclohexyl]methyl]carbamate
CID 103695365
tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate
CID 113242207
tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103700564
tert-butyl N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103275588

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate (CID 103910163) is tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1Nc1cnccc1Cl.
What is the InChIKey of tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate?
The InChIKey is JOWRYUPPEWCFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-16(2,3)22-15(21)19-9-11-5-4-6-13(11)20-14-10-18-8-7-12(14)17/h7-8,10-11,13,20H,4-6,9H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate has a molecular weight of 325.84 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103910163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).