N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide

C17H21FN4O — CID 109167657

IUPACN-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(NCc2ccccc2F)c1
InChIInChI=1S/C17H21FN4O/c1-22(2)10-9-20-17(23)13-7-8-19-16(11-13)21-12-14-5-3-4-6-15(14)18/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyWFHCNLKIFPFRLR-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.12
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109167657) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
PubChem CID109167657
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(NCc2ccccc2F)c1
InChIInChI=1S/C17H21FN4O/c1-22(2)10-9-20-17(23)13-7-8-19-16(11-13)21-12-14-5-3-4-6-15(14)18/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyWFHCNLKIFPFRLR-UHFFFAOYSA-N
XLogP2.12
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109167652
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991
2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109167781
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169978
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide
CID 109172077
N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170520

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide (CID 109167657) is N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide is CN(C)CCNC(=O)c1ccnc(NCc2ccccc2F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is WFHCNLKIFPFRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-22(2)10-9-20-17(23)13-7-8-19-16(11-13)21-12-14-5-3-4-6-15(14)18/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109167657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).