N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide

C13H20FN3O — CID 115646479

IUPACN-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1ccncc1F
InChIInChI=1S/C13H20FN3O/c1-4-7-17(9-8-16(2)3)13(18)11-5-6-15-10-12(11)14/h5-6,10H,4,7-9H2,1-3H3
InChIKeyTVUQRHFTAVANHJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.63
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide (PubChem CID 115646479) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
PubChem CID115646479
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1ccncc1F
InChIInChI=1S/C13H20FN3O/c1-4-7-17(9-8-16(2)3)13(18)11-5-6-15-10-12(11)14/h5-6,10H,4,7-9H2,1-3H3
InChIKeyTVUQRHFTAVANHJ-UHFFFAOYSA-N
XLogP1.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 115646478
3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
CID 66483955
4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 81241040
3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide
CID 64950885
N-[3-(diethylamino)propyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 102992706
N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
CID 79796018
N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
CID 104929967
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 113240838
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 113240790

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide (CID 115646479) is N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide is CCCN(CCN(C)C)C(=O)c1ccncc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide?
The InChIKey is TVUQRHFTAVANHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-4-7-17(9-8-16(2)3)13(18)11-5-6-15-10-12(11)14/h5-6,10H,4,7-9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide has a molecular weight of 253.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 115646479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).