methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate

C12H15F3N4O2 — CID 102719156

IUPACmethyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(c2cc(C(F)(F)F)cc(N)n2)C1
InChIInChI=1S/C12H15F3N4O2/c1-21-11(20)17-8-2-3-19(6-8)10-5-7(12(13,14)15)4-9(16)18-10/h4-5,8H,2-3,6H2,1H3,(H2,16,18)(H,17,20)
InChIKeyQJGHCSCVUUQROT-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.62
Rot. Bonds2

About methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate

methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate (PubChem CID 102719156) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
PubChem CID102719156
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Namemethyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(c2cc(C(F)(F)F)cc(N)n2)C1
InChIInChI=1S/C12H15F3N4O2/c1-21-11(20)17-8-2-3-19(6-8)10-5-7(12(13,14)15)4-9(16)18-10/h4-5,8H,2-3,6H2,1H3,(H2,16,18)(H,17,20)
InChIKeyQJGHCSCVUUQROT-UHFFFAOYSA-N
XLogP1.62
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
CID 106768257
methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 113402668
1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 102717208
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
tert-butyl N-[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 71634263
methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 137009937
5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114407627
methyl N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 113413422
6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102717213
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718838
tert-butyl N-[1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 175141152
1-(3,5-dimethoxyphenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 121142878

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate (CID 102719156) is methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(c2cc(C(F)(F)F)cc(N)n2)C1.
What is the InChIKey of methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate?
The InChIKey is QJGHCSCVUUQROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-21-11(20)17-8-2-3-19(6-8)10-5-7(12(13,14)15)4-9(16)18-10/h4-5,8H,2-3,6H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate?
methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate has a molecular weight of 304.27 g/mol, XLogP of 1.62, 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-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 102719156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).