tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate

C20H31N3O3 — CID 102540471

IUPACtert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(=O)c1ccc(NC2CCCC2)nc1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)21-13-7-6-10-17(24)15-11-12-18(22-14-15)23-16-8-4-5-9-16/h11-12,14,16H,4-10,13H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyPMAKWWXOHFVGKR-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.31
Rot. Bonds8

About tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate

tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate (PubChem CID 102540471) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate
PubChem CID102540471
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(=O)c1ccc(NC2CCCC2)nc1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)21-13-7-6-10-17(24)15-11-12-18(22-14-15)23-16-8-4-5-9-16/h11-12,14,16H,4-10,13H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyPMAKWWXOHFVGKR-UHFFFAOYSA-N
XLogP4.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate
CID 102539098
tert-butyl N-[5-[6-(azepan-1-yl)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102541843
tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate
CID 102539652
tert-butyl N-cyclopropyl-N-[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102541114
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102543063
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018
tert-butyl N-[5-[2-(azepan-1-yl)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102541875
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
tert-butyl N-[4-[4-(chloromethyl)phenyl]-4-oxobutyl]carbamate
CID 159100091

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate (CID 102540471) is tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate is CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(NC2CCCC2)nc1.
What is the InChIKey of tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate?
The InChIKey is PMAKWWXOHFVGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)21-13-7-6-10-17(24)15-11-12-18(22-14-15)23-16-8-4-5-9-16/h11-12,14,16H,4-10,13H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate?
tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate has a molecular weight of 361.49 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate is sourced from PubChem (CID 102540471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).