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

C18H21F2N3O — CID 109175877

IUPAC2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C18H21F2N3O/c1-3-9-23(10-4-2)18(24)13-7-8-21-17(11-13)22-16-6-5-14(19)12-15(16)20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,22)
InChIKeyRBNKYSZOWRAZGS-UHFFFAOYSA-N
MW333.38 g/mol
LogP4.37
Rot. Bonds7

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

2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide (PubChem CID 109175877) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide
PubChem CID109175877
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C18H21F2N3O/c1-3-9-23(10-4-2)18(24)13-7-8-21-17(11-13)22-16-6-5-14(19)12-15(16)20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,22)
InChIKeyRBNKYSZOWRAZGS-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

2-(2-bromoanilino)-N,N-dipropylpyridine-4-carboxamide
CID 109175871
2-(ethylamino)-N,N-dipropylpyridine-4-carboxamide
CID 62167745
2-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109176898
3-N-(2,4-difluorophenyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107640
2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176722
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088871
2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169816
2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide
CID 109170952
N-(2,4-difluorophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175949
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
2-(2-ethoxyanilino)-N,N-diethylpyridine-4-carboxamide
CID 109174723
2-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109178357

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide (CID 109175877) is 2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(Nc2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide?
The InChIKey is RBNKYSZOWRAZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-3-9-23(10-4-2)18(24)13-7-8-21-17(11-13)22-16-6-5-14(19)12-15(16)20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide?
2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-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 2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide is sourced from PubChem (CID 109175877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).