2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C17H17ClF3N3O — CID 109165946

IUPAC2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccn1
InChIInChI=1S/C17H17ClF3N3O/c1-3-10(2)23-15-8-11(6-7-22-15)16(25)24-14-9-12(17(19,20)21)4-5-13(14)18/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyJWAJQUWYCPLWEM-UHFFFAOYSA-N
MW371.79 g/mol
LogP5.22
Rot. Bonds5

About 2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 109165946) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID109165946
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC Name2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccn1
InChIInChI=1S/C17H17ClF3N3O/c1-3-10(2)23-15-8-11(6-7-22-15)16(25)24-14-9-12(17(19,20)21)4-5-13(14)18/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyJWAJQUWYCPLWEM-UHFFFAOYSA-N
XLogP5.22
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 ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(diethylamino)pyridine-4-carboxamide
CID 109174779
N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109152093
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079135
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 1214413
2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109165938
methyl 4-[[2-(butan-2-ylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165944
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
1-N-butyl-4-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043789
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1302692
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340340
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 109165946) is 2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is CCC(C)Nc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccn1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is JWAJQUWYCPLWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-3-10(2)23-15-8-11(6-7-22-15)16(25)24-14-9-12(17(19,20)21)4-5-13(14)18/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 371.79 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109165946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).