N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide

C17H18F2N4O3 — CID 118065152

IUPACN-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2OCC(F)F)ccn1
InChIInChI=1S/C17H18F2N4O3/c1-10(2)16(24)23-15-7-11(3-6-21-15)17(25)22-12-8-20-5-4-13(12)26-9-14(18)19/h3-8,10,14H,9H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyAASZBVWGEDIXLX-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.97
Rot. Bonds7

About N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide

N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (PubChem CID 118065152) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
PubChem CID118065152
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC NameN-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2OCC(F)F)ccn1
InChIInChI=1S/C17H18F2N4O3/c1-10(2)16(24)23-15-7-11(3-6-21-15)17(25)22-12-8-20-5-4-13(12)26-9-14(18)19/h3-8,10,14H,9H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyAASZBVWGEDIXLX-UHFFFAOYSA-N
XLogP2.97
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064272
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426753
2-(cyclopropanecarbonylamino)-N-[4-(cyclopropylmethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118070965
N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87427038
2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide
CID 87426496
N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 153311479
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 131970322
2-(2-methylpropanoylamino)-N-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426299
N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
CID 62180377
4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide
CID 155966963
2-(2-methylpropanoylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide
CID 142503801

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (CID 118065152) is N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is CC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2OCC(F)F)ccn1.
What is the InChIKey of N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The InChIKey is AASZBVWGEDIXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c1-10(2)16(24)23-15-7-11(3-6-21-15)17(25)22-12-8-20-5-4-13(12)26-9-14(18)19/h3-8,10,14H,9H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 118065152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).