N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide

C16H18F2N4O — CID 109229445

IUPACN-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
SMILESCN(C)CCNc1cncc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C16H18F2N4O/c1-22(2)7-6-20-12-8-11(9-19-10-12)16(23)21-15-13(17)4-3-5-14(15)18/h3-5,8-10,20H,6-7H2,1-2H3,(H,21,23)
InChIKeyKCXVMJUVFOZVFH-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.59
Rot. Bonds6

About N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide

N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide (PubChem CID 109229445) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
PubChem CID109229445
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC NameN-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
SMILESCN(C)CCNc1cncc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C16H18F2N4O/c1-22(2)7-6-20-12-8-11(9-19-10-12)16(23)21-15-13(17)4-3-5-14(15)18/h3-5,8-10,20H,6-7H2,1-2H3,(H,21,23)
InChIKeyKCXVMJUVFOZVFH-UHFFFAOYSA-N
XLogP2.59
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109229444
N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229435
N-(2,6-difluorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233782
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229419
5-[2-(dimethylamino)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109229386
N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109229102
N-(3-chloro-4-fluorophenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229991
5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109229916
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823
5-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 109229412
[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109229318
N-(2-fluorophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223073

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide (CID 109229445) is N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide is CN(C)CCNc1cncc(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
The InChIKey is KCXVMJUVFOZVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c1-22(2)7-6-20-12-8-11(9-19-10-12)16(23)21-15-13(17)4-3-5-14(15)18/h3-5,8-10,20H,6-7H2,1-2H3,(H,21,23).
What are the key properties of N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109229445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).