6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide

C15H13ClF3N3O — CID 58450631

IUPAC6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
SMILESCc1cc(CNc2cc(Cl)ncc2C(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3N3O/c1-8-2-9(4-10(3-8)15(17,18)19)6-21-12-5-13(16)22-7-11(12)14(20)23/h2-5,7H,6H2,1H3,(H2,20,23)(H,21,22)
InChIKeyXRQPLOAKJXOWBR-UHFFFAOYSA-N
MW343.74 g/mol
LogP3.77
Rot. Bonds4

About 6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide

6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 58450631) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is 6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID58450631
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC Name6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
SMILESCc1cc(CNc2cc(Cl)ncc2C(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3N3O/c1-8-2-9(4-10(3-8)15(17,18)19)6-21-12-5-13(16)22-7-11(12)14(20)23/h2-5,7H,6H2,1H3,(H2,20,23)(H,21,22)
InChIKeyXRQPLOAKJXOWBR-UHFFFAOYSA-N
XLogP3.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774
6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide
CID 58440060
N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717935
2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide
CID 71978030
6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide
CID 58440080
4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide
CID 123575616
2-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide
CID 123839907
5-(1-aminoethenyl)-2-chloro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-4-amine
CID 162559576
3-methyl-5-(trifluoromethyl)benzamide
CID 2775571
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
ethyl 6-chloro-4-[(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
CID 86657942
propan-2-yl N-[8-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]carbamate
CID 58328615

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide (CID 58450631) is 6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide is Cc1cc(CNc2cc(Cl)ncc2C(N)=O)cc(C(F)(F)F)c1.
What is the InChIKey of 6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is XRQPLOAKJXOWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O/c1-8-2-9(4-10(3-8)15(17,18)19)6-21-12-5-13(16)22-7-11(12)14(20)23/h2-5,7H,6H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of 6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide?
6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 343.74 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 58450631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).