4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide

C18H22FN3O — CID 109218327

IUPAC4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccccc2F)ccn1
InChIInChI=1S/C18H22FN3O/c1-3-11-22(12-4-2)18(23)17-13-14(9-10-20-17)21-16-8-6-5-7-15(16)19/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKeyIFQOCARECAJPBT-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.23
Rot. Bonds7

About 4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide

4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109218327) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
PubChem CID109218327
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccccc2F)ccn1
InChIInChI=1S/C18H22FN3O/c1-3-11-22(12-4-2)18(23)17-13-14(9-10-20-17)21-16-8-6-5-7-15(16)19/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKeyIFQOCARECAJPBT-UHFFFAOYSA-N
XLogP4.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218386
2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313006
4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109217523
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
N,N-diethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109216389
4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218350
N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide
CID 109217787
N-(2,6-difluorophenyl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109220720
4-hydrazinyl-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 62249260
4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109215470

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide (CID 109218327) is 4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2ccccc2F)ccn1.
What is the InChIKey of 4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is IFQOCARECAJPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-3-11-22(12-4-2)18(23)17-13-14(9-10-20-17)21-16-8-6-5-7-15(16)19/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide?
4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109218327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).