4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide

C13H10ClF3N4O — CID 123575616

IUPAC4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1CNc1cc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C13H10ClF3N4O/c14-11-3-10(9(6-21-11)13(15,16)17)20-4-7-1-2-19-5-8(7)12(18)22/h1-3,5-6H,4H2,(H2,18,22)(H,20,21)
InChIKeyFJICDPAUOGNEMJ-UHFFFAOYSA-N
MW330.70 g/mol
LogP2.86
Rot. Bonds4

About 4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide

4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide (PubChem CID 123575616) has the molecular formula C13H10ClF3N4O and a molecular weight of 330.70 g/mol. Its IUPAC name is 4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide
PubChem CID123575616
Molecular FormulaC13H10ClF3N4O
Molecular Weight330.70 g/mol
Exact Mass330.05
IUPAC Name4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1CNc1cc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C13H10ClF3N4O/c14-11-3-10(9(6-21-11)13(15,16)17)20-4-7-1-2-19-5-8(7)12(18)22/h1-3,5-6H,4H2,(H2,18,22)(H,20,21)
InChIKeyFJICDPAUOGNEMJ-UHFFFAOYSA-N
XLogP2.86
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.70
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-aminoethenyl)-2-chloro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-4-amine
CID 162559576
3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-4-carboxamide
CID 58155043
4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133469822
4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133467997
6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide
CID 58440080
6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 58450631
2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide
CID 91000279
4-(aminomethyl)pyridine-3-carboxamide
CID 123566615
6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide
CID 58440227
3-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]benzoic acid
CID 58440146
6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide
CID 58440060
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide?
The IUPAC name of 4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide (CID 123575616) is 4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide is NC(=O)c1cnccc1CNc1cc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide?
The InChIKey is FJICDPAUOGNEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N4O/c14-11-3-10(9(6-21-11)13(15,16)17)20-4-7-1-2-19-5-8(7)12(18)22/h1-3,5-6H,4H2,(H2,18,22)(H,20,21).
What are the key properties of 4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide?
4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide has a molecular weight of 330.70 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 123575616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).