N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide

C20H23F2N3O3 — CID 142764991

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide
SMILESCC(C)C(=O)NCCc1ncccc1C(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C20H23F2N3O3/c1-13(2)18(26)24-10-8-17-16(7-4-9-23-17)19(27)25-12-14-5-3-6-15(11-14)28-20(21)22/h3-7,9,11,13,20H,8,10,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQETHVORAXOVBPL-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.93
Rot. Bonds9

About N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide

N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide (PubChem CID 142764991) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide
PubChem CID142764991
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide
SMILESCC(C)C(=O)NCCc1ncccc1C(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C20H23F2N3O3/c1-13(2)18(26)24-10-8-17-16(7-4-9-23-17)19(27)25-12-14-5-3-6-15(11-14)28-20(21)22/h3-7,9,11,13,20H,8,10,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQETHVORAXOVBPL-UHFFFAOYSA-N
XLogP2.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2,2-difluoroethoxy)-3-methylphenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide
CID 142764972
N-[[3-(difluoromethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 49336379
N-[[3-(difluoromethoxy)phenyl]methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72881111
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282
N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580040
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide (CID 142764991) is N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide is CC(C)C(=O)NCCc1ncccc1C(=O)NCc1cccc(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is QETHVORAXOVBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-13(2)18(26)24-10-8-17-16(7-4-9-23-17)19(27)25-12-14-5-3-6-15(11-14)28-20(21)22/h3-7,9,11,13,20H,8,10,12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide?
N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 142764991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).