N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide

C17H21FN4O — CID 109229102

IUPACN-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H21FN4O/c1-22(2)8-7-20-17(23)14-9-16(12-19-11-14)21-10-13-3-5-15(18)6-4-13/h3-6,9,11-12,21H,7-8,10H2,1-2H3,(H,20,23)
InChIKeyXANXZDMFABSBAV-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.12
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109229102) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID109229102
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H21FN4O/c1-22(2)8-7-20-17(23)14-9-16(12-19-11-14)21-10-13-3-5-15(18)6-4-13/h3-6,9,11-12,21H,7-8,10H2,1-2H3,(H,20,23)
InChIKeyXANXZDMFABSBAV-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]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109229098
5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229278
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823
5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229244
5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229900
5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109233675
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109229913
N-(2,6-difluorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233782
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
5-[(4-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109233661
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide (CID 109229102) is N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide is CN(C)CCNC(=O)c1cncc(NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is XANXZDMFABSBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-22(2)8-7-20-17(23)14-9-16(12-19-11-14)21-10-13-3-5-15(18)6-4-13/h3-6,9,11-12,21H,7-8,10H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-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]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109229102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).