5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide

C16H15ClF3N3O — CID 109222936

IUPAC5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15ClF3N3O/c1-2-5-22-15(24)10-6-12(9-21-8-10)23-11-3-4-14(17)13(7-11)16(18,19)20/h3-4,6-9,23H,2,5H2,1H3,(H,22,24)
InChIKeyPGARDYUJZZRDJX-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.64
Rot. Bonds5

About 5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide

5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide (PubChem CID 109222936) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is 5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide
PubChem CID109222936
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC Name5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15ClF3N3O/c1-2-5-22-15(24)10-6-12(9-21-8-10)23-11-3-4-14(17)13(7-11)16(18,19)20/h3-4,6-9,23H,2,5H2,1H3,(H,22,24)
InChIKeyPGARDYUJZZRDJX-UHFFFAOYSA-N
XLogP4.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 109224461
5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222941
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945
N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224479
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238984
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153089
5-(cyclopropylamino)-N-propylpyridine-3-carboxamide
CID 109222760
N-butyl-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 139036224
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224318
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide (CID 109222936) is 5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cncc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of 5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide?
The InChIKey is PGARDYUJZZRDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c1-2-5-22-15(24)10-6-12(9-21-8-10)23-11-3-4-14(17)13(7-11)16(18,19)20/h3-4,6-9,23H,2,5H2,1H3,(H,22,24).
What are the key properties of 5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide?
5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide has a molecular weight of 357.76 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 109222936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).