N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide

C19H21F2N3O3 — CID 134347962

IUPACN-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide
SMILESNCCCCC(NC(=O)c1cccnc1)C(=O)COc1c(F)cccc1F
InChIInChI=1S/C19H21F2N3O3/c20-14-6-3-7-15(21)18(14)27-12-17(25)16(8-1-2-9-22)24-19(26)13-5-4-10-23-11-13/h3-7,10-11,16H,1-2,8-9,12,22H2,(H,24,26)
InChIKeyCAVMOPMUEYTETG-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.24
Rot. Bonds10

About N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide

N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide (PubChem CID 134347962) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide
PubChem CID134347962
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC NameN-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide
SMILESNCCCCC(NC(=O)c1cccnc1)C(=O)COc1c(F)cccc1F
InChIInChI=1S/C19H21F2N3O3/c20-14-6-3-7-15(21)18(14)27-12-17(25)16(8-1-2-9-22)24-19(26)13-5-4-10-23-11-13/h3-7,10-11,16H,1-2,8-9,12,22H2,(H,24,26)
InChIKeyCAVMOPMUEYTETG-UHFFFAOYSA-N
XLogP2.24
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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VU0404251
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N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
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N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487805
2-ethoxy-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 1478065
2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 2080643
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
2-(4-propionylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2595155
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CID 2726832

Frequently Asked Questions

What is the IUPAC name of N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide (CID 134347962) is N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide is NCCCCC(NC(=O)c1cccnc1)C(=O)COc1c(F)cccc1F.
What is the InChIKey of N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide?
The InChIKey is CAVMOPMUEYTETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c20-14-6-3-7-15(21)18(14)27-12-17(25)16(8-1-2-9-22)24-19(26)13-5-4-10-23-11-13/h3-7,10-11,16H,1-2,8-9,12,22H2,(H,24,26).
What are the key properties of N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide?
N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 2.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134347962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).