2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide

C19H20F2N4O3 — CID 87426751

IUPAC2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cnc(OCC(F)F)c(C3CC3)c2)ccn1
InChIInChI=1S/C19H20F2N4O3/c1-11(26)25-17-7-14(4-5-22-17)18(27)23-8-12-6-15(13-2-3-13)19(24-9-12)28-10-16(20)21/h4-7,9,13,16H,2-3,8,10H2,1H3,(H,23,27)(H,22,25,26)
InChIKeyAXNJQMODBQSDFQ-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.89
Rot. Bonds8

About 2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide

2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 87426751) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID87426751
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cnc(OCC(F)F)c(C3CC3)c2)ccn1
InChIInChI=1S/C19H20F2N4O3/c1-11(26)25-17-7-14(4-5-22-17)18(27)23-8-12-6-15(13-2-3-13)19(24-9-12)28-10-16(20)21/h4-7,9,13,16H,2-3,8,10H2,1H3,(H,23,27)(H,22,25,26)
InChIKeyAXNJQMODBQSDFQ-UHFFFAOYSA-N
XLogP2.89
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489
2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide
CID 87426496
2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide
CID 87426273
N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide
CID 161020422
2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide
CID 87688831
2-acetamido-N-[[5-cyclohexa-1,5-dien-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 162566267
1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one
CID 174687394
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
2-(2-methylpropanoylamino)-N-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426299
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-(2-methylphenyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 162566269
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-(furan-2-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 160992762
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-[(1-methylcyclopropanecarbonyl)amino]pyridine-4-carboxamide
CID 67509188

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 87426751) is 2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NCc2cnc(OCC(F)F)c(C3CC3)c2)ccn1.
What is the InChIKey of 2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is AXNJQMODBQSDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-11(26)25-17-7-14(4-5-22-17)18(27)23-8-12-6-15(13-2-3-13)19(24-9-12)28-10-16(20)21/h4-7,9,13,16H,2-3,8,10H2,1H3,(H,23,27)(H,22,25,26).
What are the key properties of 2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 87426751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).