N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C20H24F3N5O5 — CID 155862758

IUPACN-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCN(C)C(=O)c1nc2c(n1C)CCN(C(=O)c1ccccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N5O3.C2HF3O2/c1-21(10-11-26-3)18(25)16-20-14-12-23(9-7-15(14)22(16)2)17(24)13-6-4-5-8-19-13;3-2(4,5)1(6)7/h4-6,8H,7,9-12H2,1-3H3;(H,6,7)
InChIKeyBPLYPNMFKGDMDP-UHFFFAOYSA-N
MW471.44 g/mol
LogP1.37
Rot. Bonds5

About N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155862758) has the molecular formula C20H24F3N5O5 and a molecular weight of 471.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155862758
Molecular FormulaC20H24F3N5O5
Molecular Weight471.44 g/mol
Exact Mass471.17
IUPAC NameN-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCN(C)C(=O)c1nc2c(n1C)CCN(C(=O)c1ccccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N5O3.C2HF3O2/c1-21(10-11-26-3)18(25)16-20-14-12-23(9-7-15(14)22(16)2)17(24)13-6-4-5-8-19-13;3-2(4,5)1(6)7/h4-6,8H,7,9-12H2,1-3H3;(H,6,7)
InChIKeyBPLYPNMFKGDMDP-UHFFFAOYSA-N
XLogP1.37
TPSA117.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155862758) is N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is COCCN(C)C(=O)c1nc2c(n1C)CCN(C(=O)c1ccccn1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BPLYPNMFKGDMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3.C2HF3O2/c1-21(10-11-26-3)18(25)16-20-14-12-23(9-7-15(14)22(16)2)17(24)13-6-4-5-8-19-13;3-2(4,5)1(6)7/h4-6,8H,7,9-12H2,1-3H3;(H,6,7).
What are the key properties of N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 471.44 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N,1-dimethyl-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155862758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).