methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate

C12H18N4O2 — CID 113424237

IUPACmethyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate
SMILESCNc1cncc(N2CCC(NC(=O)OC)C2)c1
InChIInChI=1S/C12H18N4O2/c1-13-10-5-11(7-14-6-10)16-4-3-9(8-16)15-12(17)18-2/h5-7,9,13H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyADRLVDOHILITGO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.06
Rot. Bonds3

About methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate

methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate (PubChem CID 113424237) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate
PubChem CID113424237
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate
SMILESCNc1cncc(N2CCC(NC(=O)OC)C2)c1
InChIInChI=1S/C12H18N4O2/c1-13-10-5-11(7-14-6-10)16-4-3-9(8-16)15-12(17)18-2/h5-7,9,13H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyADRLVDOHILITGO-UHFFFAOYSA-N
XLogP1.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate (CID 113424237) is methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate is CNc1cncc(N2CCC(NC(=O)OC)C2)c1.
What is the InChIKey of methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate?
The InChIKey is ADRLVDOHILITGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-10-5-11(7-14-6-10)16-4-3-9(8-16)15-12(17)18-2/h5-7,9,13H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate?
methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 113424237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).