N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

C15H14F3N4O+ — CID 123614853

IUPACN-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC(c1ccc[nH+]c1)C(F)(F)F)C1=C2C=CC=CN2CN1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)13(10-4-3-6-19-8-10)21-14(23)12-11-5-1-2-7-22(11)9-20-12/h1-8,13,20H,9H2,(H,21,23)/p+1
InChIKeyORVXWHCUGFEOTP-UHFFFAOYSA-O
MW323.30 g/mol
LogP1.38
Rot. Bonds3

About N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 123614853) has the molecular formula C15H14F3N4O+ and a molecular weight of 323.30 g/mol. Its IUPAC name is N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID123614853
Molecular FormulaC15H14F3N4O+
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC NameN-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC(c1ccc[nH+]c1)C(F)(F)F)C1=C2C=CC=CN2CN1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)13(10-4-3-6-19-8-10)21-14(23)12-11-5-1-2-7-22(11)9-20-12/h1-8,13,20H,9H2,(H,21,23)/p+1
InChIKeyORVXWHCUGFEOTP-UHFFFAOYSA-O
XLogP1.38
TPSA58.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (CID 123614853) is N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is O=C(NC(c1ccc[nH+]c1)C(F)(F)F)C1=C2C=CC=CN2CN1.
What is the InChIKey of N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is ORVXWHCUGFEOTP-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)13(10-4-3-6-19-8-10)21-14(23)12-11-5-1-2-7-22(11)9-20-12/h1-8,13,20H,9H2,(H,21,23)/p+1.
What are the key properties of N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 323.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoro-1-pyridin-1-ium-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 123614853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).