N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide

C17H20F2N4O — CID 109208033

IUPACN-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccnc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H20F2N4O/c1-23(2)9-3-7-20-13-6-8-21-16(11-13)17(24)22-15-5-4-12(18)10-14(15)19/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyUGBDXWJKPIQPLU-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.98
Rot. Bonds7

About N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide

N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide (PubChem CID 109208033) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
PubChem CID109208033
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC NameN-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccnc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H20F2N4O/c1-23(2)9-3-7-20-13-6-8-21-16(11-13)17(24)22-15-5-4-12(18)10-14(15)19/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyUGBDXWJKPIQPLU-UHFFFAOYSA-N
XLogP2.98
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207420
N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301831
4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109207899
4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109208035
N-[4-(dimethylamino)phenyl]-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208013
N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109216800
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207368
N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109215578
N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208005
4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109203590

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide (CID 109208033) is N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide is CN(C)CCCNc1ccnc(C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The InChIKey is UGBDXWJKPIQPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-23(2)9-3-7-20-13-6-8-21-16(11-13)17(24)22-15-5-4-12(18)10-14(15)19/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 2.98, 7 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-[3-(dimethylamino)propylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109208033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).