2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

C19H21F3N4O3 — CID 67508895

IUPAC2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCCC(F)(F)F)nc2)cc(C)n1
InChIInChI=1S/C19H21F3N4O3/c1-11-8-15(9-16(24-11)26-13(3)27)18(28)25-12(2)14-4-5-17(23-10-14)29-7-6-19(20,21)22/h4-5,8-10,12H,6-7H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyDVBHBPOVVDCVRN-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.57
Rot. Bonds7

About 2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (PubChem CID 67508895) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
PubChem CID67508895
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCCC(F)(F)F)nc2)cc(C)n1
InChIInChI=1S/C19H21F3N4O3/c1-11-8-15(9-16(24-11)26-13(3)27)18(28)25-12(2)14-4-5-17(23-10-14)29-7-6-19(20,21)22/h4-5,8-10,12H,6-7H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyDVBHBPOVVDCVRN-UHFFFAOYSA-N
XLogP3.57
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (CID 67508895) is 2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCCC(F)(F)F)nc2)cc(C)n1.
What is the InChIKey of 2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The InChIKey is DVBHBPOVVDCVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-11-8-15(9-16(24-11)26-13(3)27)18(28)25-12(2)14-4-5-17(23-10-14)29-7-6-19(20,21)22/h4-5,8-10,12H,6-7H2,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 67508895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).