methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate

C11H16N4O2 — CID 113402668

IUPACmethyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(c2cccc(N)n2)C1
InChIInChI=1S/C11H16N4O2/c1-17-11(16)13-8-5-6-15(7-8)10-4-2-3-9(12)14-10/h2-4,8H,5-7H2,1H3,(H2,12,14)(H,13,16)
InChIKeyICTRFUSYMJSPLM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.60
Rot. Bonds2

About methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate

methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate (PubChem CID 113402668) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate
PubChem CID113402668
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Namemethyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(c2cccc(N)n2)C1
InChIInChI=1S/C11H16N4O2/c1-17-11(16)13-8-5-6-15(7-8)10-4-2-3-9(12)14-10/h2-4,8H,5-7H2,1H3,(H2,12,14)(H,13,16)
InChIKeyICTRFUSYMJSPLM-UHFFFAOYSA-N
XLogP0.60
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 113413422
methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 102719156
methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 174487288
5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114407627
N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102737048
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate
CID 118542685
tert-butyl N-[(3S)-1-(6-bromo-2-pyridinyl)piperidin-3-yl]carbamate
CID 86318359
methyl N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
CID 106768257
methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 103518427
methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 137009937
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen
CID 145321014

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate (CID 113402668) is methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(c2cccc(N)n2)C1.
What is the InChIKey of methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate?
The InChIKey is ICTRFUSYMJSPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-11(16)13-8-5-6-15(7-8)10-4-2-3-9(12)14-10/h2-4,8H,5-7H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate?
methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate has a molecular weight of 236.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 113402668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).