N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide

C16H23F2N3O3 — CID 49072325

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C16H23F2N3O3/c1-23-9-10-24-16-13(3-2-6-19-16)15(22)20-12-4-7-21(8-5-12)11-14(17)18/h2-3,6,12,14H,4-5,7-11H2,1H3,(H,20,22)
InChIKeyJKCILOKHJBMMMY-UHFFFAOYSA-N
MW343.37 g/mol
LogP1.57
Rot. Bonds8

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide (PubChem CID 49072325) has the molecular formula C16H23F2N3O3 and a molecular weight of 343.37 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
PubChem CID49072325
Molecular FormulaC16H23F2N3O3
Molecular Weight343.37 g/mol
Exact Mass343.17
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C16H23F2N3O3/c1-23-9-10-24-16-13(3-2-6-19-16)15(22)20-12-4-7-21(8-5-12)11-14(17)18/h2-3,6,12,14H,4-5,7-11H2,1H3,(H,20,22)
InChIKeyJKCILOKHJBMMMY-UHFFFAOYSA-N
XLogP1.57
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47072487
N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 47024234
2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95290165
ethyl 4-[(2-methoxypyridine-3-carbonyl)amino]azepane-1-carboxylate
CID 59150729
3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 75369663
methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617208
N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 138996085
2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 60566725
(4-cyclopropylpiperazin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 86853356
2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide
CID 56569700
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
CID 55745402
6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane
CID 144895125

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide (CID 49072325) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide is COCCOc1ncccc1C(=O)NC1CCN(CC(F)F)CC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The InChIKey is JKCILOKHJBMMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3/c1-23-9-10-24-16-13(3-2-6-19-16)15(22)20-12-4-7-21(8-5-12)11-14(17)18/h2-3,6,12,14H,4-5,7-11H2,1H3,(H,20,22).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 49072325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).