N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide

C17H17ClF3N3O — CID 109152093

IUPACN-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C17H17ClF3N3O/c1-3-10(2)23-16(25)11-4-7-15(22-9-11)24-14-8-12(17(19,20)21)5-6-13(14)18/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBTWVVMGRHCBUSS-UHFFFAOYSA-N
MW371.79 g/mol
LogP5.03
Rot. Bonds5

About N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109152093) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109152093
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC NameN-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C17H17ClF3N3O/c1-3-10(2)23-16(25)11-4-7-15(22-9-11)24-14-8-12(17(19,20)21)5-6-13(14)18/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBTWVVMGRHCBUSS-UHFFFAOYSA-N
XLogP5.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.79
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160757
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109165946
ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020838
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
CID 113035472
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262415
5-N-butan-2-yl-3-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112940799
methyl 3-[[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]amino]-4-chlorobenzoate
CID 109111681

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109152093) is N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide is CCC(C)NC(=O)c1ccc(Nc2cc(C(F)(F)F)ccc2Cl)nc1.
What is the InChIKey of N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is BTWVVMGRHCBUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-3-10(2)23-16(25)11-4-7-15(22-9-11)24-14-8-12(17(19,20)21)5-6-13(14)18/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 371.79 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109152093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).