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

C14H22FN3O — CID 115646478

IUPACN-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1ccncc1F
InChIInChI=1S/C14H22FN3O/c1-11(2)10-18(8-7-17(3)4)14(19)12-5-6-16-9-13(12)15/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyQSGPZSZJAJVKHT-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.88
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 115646478) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID115646478
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1ccncc1F
InChIInChI=1S/C14H22FN3O/c1-11(2)10-18(8-7-17(3)4)14(19)12-5-6-16-9-13(12)15/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyQSGPZSZJAJVKHT-UHFFFAOYSA-N
XLogP1.88
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113240831
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
CID 115646479
N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105068956
3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide
CID 64950885
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
N-[3-(diethylamino)propyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 102992706
4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244330
N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82829732
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide
CID 63188458
N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 61377482
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646512
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide (CID 115646478) is N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide is CC(C)CN(CCN(C)C)C(=O)c1ccncc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is QSGPZSZJAJVKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-11(2)10-18(8-7-17(3)4)14(19)12-5-6-16-9-13(12)15/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.88, 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-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 115646478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).