methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate

C12H17N3O2 — CID 113024495

IUPACmethyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CCCC2)cn1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)15-11-7-6-10(8-13-11)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3,(H,13,15,16)
InChIKeyPWRMZQRNCGBQLA-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.61
Rot. Bonds3

About methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate

methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate (PubChem CID 113024495) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
PubChem CID113024495
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CCCC2)cn1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)15-11-7-6-10(8-13-11)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3,(H,13,15,16)
InChIKeyPWRMZQRNCGBQLA-UHFFFAOYSA-N
XLogP2.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243151
methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
CID 86775642
1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113024752
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide
CID 113024697
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide
CID 113024447
4-[[5-(cyclohexylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187428
tert-butyl N-[5-[(1-methylpiperidin-3-yl)amino]-2-pyridinyl]carbamate
CID 107243155
4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide
CID 113024450
N-[5-(cyclohexylamino)-2-pyridinyl]oxane-4-carboxamide
CID 113024751

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate (CID 113024495) is methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate is COC(=O)Nc1ccc(NC2CCCC2)cn1.
What is the InChIKey of methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate?
The InChIKey is PWRMZQRNCGBQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-12(16)15-11-7-6-10(8-13-11)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3,(H,13,15,16).
What are the key properties of methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate?
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate has a molecular weight of 235.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113024495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).