tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate

C16H24ClN3O2 — CID 86794465

IUPACtert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1NCc1ccc(Cl)cn1
InChIInChI=1S/C16H24ClN3O2/c1-16(2,3)22-15(21)20-14-6-4-5-13(14)19-10-12-8-7-11(17)9-18-12/h7-9,13-14,19H,4-6,10H2,1-3H3,(H,20,21)
InChIKeyJOUJQYFLIIHUSD-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.27
Rot. Bonds4

About tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate

tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate (PubChem CID 86794465) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate
PubChem CID86794465
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Nametert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1NCc1ccc(Cl)cn1
InChIInChI=1S/C16H24ClN3O2/c1-16(2,3)22-15(21)20-14-6-4-5-13(14)19-10-12-8-7-11(17)9-18-12/h7-9,13-14,19H,4-6,10H2,1-3H3,(H,20,21)
InChIKeyJOUJQYFLIIHUSD-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexyl]carbamate
CID 68899041
tert-butyl N-[2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentyl]carbamate
CID 104844678
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate
CID 103917457
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
tert-butyl N-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]carbamate
CID 107243708
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
CID 103917367
tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate
CID 104844767
tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate
CID 113351520
tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 103917664

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate (CID 86794465) is tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCCC1NCc1ccc(Cl)cn1.
What is the InChIKey of tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate?
The InChIKey is JOUJQYFLIIHUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-16(2,3)22-15(21)20-14-6-4-5-13(14)19-10-12-8-7-11(17)9-18-12/h7-9,13-14,19H,4-6,10H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate has a molecular weight of 325.84 g/mol, XLogP of 3.27, 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-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 86794465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).