4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide

C18H21F2N3O — CID 109218386

IUPAC4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2c(F)cccc2F)ccn1
InChIInChI=1S/C18H21F2N3O/c1-3-10-23(11-4-2)18(24)16-12-13(8-9-21-16)22-17-14(19)6-5-7-15(17)20/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22)
InChIKeyIBCDBIWUOAAKOP-UHFFFAOYSA-N
MW333.38 g/mol
LogP4.37
Rot. Bonds7

About 4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide

4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109218386) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide
PubChem CID109218386
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2c(F)cccc2F)ccn1
InChIInChI=1S/C18H21F2N3O/c1-3-10-23(11-4-2)18(24)16-12-13(8-9-21-16)22-17-14(19)6-5-7-15(17)20/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22)
InChIKeyIBCDBIWUOAAKOP-UHFFFAOYSA-N
XLogP4.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218327
2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313081
4-(3-methylanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218313
4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218356
4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
CID 109218362
4-(2,6-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214723
4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218350
N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109218364
4-hydrazinyl-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 62249260
4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109215470
4-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109211884
2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313006

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide (CID 109218386) is 4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2c(F)cccc2F)ccn1.
What is the InChIKey of 4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is IBCDBIWUOAAKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-3-10-23(11-4-2)18(24)16-12-13(8-9-21-16)22-17-14(19)6-5-7-15(17)20/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22).
What are the key properties of 4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide?
4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109218386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).