N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide

C16H18F2N4O — CID 109207420

IUPACN-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
SMILESCN(C)CCNc1ccnc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C16H18F2N4O/c1-22(2)8-7-19-12-5-6-20-15(10-12)16(23)21-14-4-3-11(17)9-13(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyCTXDOUFLBYOYAT-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.59
Rot. Bonds6

About N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide

N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide (PubChem CID 109207420) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
PubChem CID109207420
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC NameN-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
SMILESCN(C)CCNc1ccnc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C16H18F2N4O/c1-22(2)8-7-19-12-5-6-20-15(10-12)16(23)21-14-4-3-11(17)9-13(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyCTXDOUFLBYOYAT-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

N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208033
N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207368
N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207365
4-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109207345
N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109216800
N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301831
4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109203590
4-[(2-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109211770
methyl 2-[[4-[2-(dimethylamino)ethylamino]pyridine-2-carbonyl]amino]benzoate
CID 109207394
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109215578
N-(2-bromo-4-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166813

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide (CID 109207420) is N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide is CN(C)CCNc1ccnc(C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
The InChIKey is CTXDOUFLBYOYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c1-22(2)8-7-19-12-5-6-20-15(10-12)16(23)21-14-4-3-11(17)9-13(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-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-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109207420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).