1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide

C18H24F3N5O2 — CID 47048348

IUPAC1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN1C(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H24F3N5O2/c19-18(20,21)12-24-16(27)14-4-3-9-26(14)17(28)23-11-13-5-6-15(22-10-13)25-7-1-2-8-25/h5-6,10,14H,1-4,7-9,11-12H2,(H,23,28)(H,24,27)
InChIKeyWTEPZWXPJHYBDW-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.03
Rot. Bonds5

About 1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide

1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 47048348) has the molecular formula C18H24F3N5O2 and a molecular weight of 399.42 g/mol. Its IUPAC name is 1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID47048348
Molecular FormulaC18H24F3N5O2
Molecular Weight399.42 g/mol
Exact Mass399.19
IUPAC Name1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN1C(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H24F3N5O2/c19-18(20,21)12-24-16(27)14-4-3-9-26(14)17(28)23-11-13-5-6-15(22-10-13)25-7-1-2-8-25/h5-6,10,14H,1-4,7-9,11-12H2,(H,23,28)(H,24,27)
InChIKeyWTEPZWXPJHYBDW-UHFFFAOYSA-N
XLogP2.03
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51120280
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide
CID 154757862
1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 55793506
(2R)-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923324
2-cyclopentyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 87036049
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
2-oxo-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]imidazolidine-4-carboxamide
CID 71877710
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 119846498
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711

Frequently Asked Questions

What is the IUPAC name of 1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide (CID 47048348) is 1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCC(F)(F)F)C1CCCN1C(=O)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is WTEPZWXPJHYBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O2/c19-18(20,21)12-24-16(27)14-4-3-9-26(14)17(28)23-11-13-5-6-15(22-10-13)25-7-1-2-8-25/h5-6,10,14H,1-4,7-9,11-12H2,(H,23,28)(H,24,27).
What are the key properties of 1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 399.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 47048348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).