N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide

C13H19F2N3O2 — CID 107486059

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(CCO)CC(F)F)ccn1
InChIInChI=1S/C13H19F2N3O2/c1-2-4-16-12-8-10(3-5-17-12)13(20)18(6-7-19)9-11(14)15/h3,5,8,11,19H,2,4,6-7,9H2,1H3,(H,16,17)
InChIKeyCZALSPJYCHMVOR-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.60
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 107486059) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID107486059
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(CCO)CC(F)F)ccn1
InChIInChI=1S/C13H19F2N3O2/c1-2-4-16-12-8-10(3-5-17-12)13(20)18(6-7-19)9-11(14)15/h3,5,8,11,19H,2,4,6-7,9H2,1H3,(H,16,17)
InChIKeyCZALSPJYCHMVOR-UHFFFAOYSA-N
XLogP1.60
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 107486289
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
CID 107485986
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62176231
2-(ethylamino)-N,N-dipropylpyridine-4-carboxamide
CID 62167745
N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 109165092
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62175245
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-2-(propylamino)benzamide
CID 107486049
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62640587

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide (CID 107486059) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(CCO)CC(F)F)ccn1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is CZALSPJYCHMVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-2-4-16-12-8-10(3-5-17-12)13(20)18(6-7-19)9-11(14)15/h3,5,8,11,19H,2,4,6-7,9H2,1H3,(H,16,17).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 107486059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).