6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide

C20H15Cl2F3N4O2 — CID 58886296

IUPAC6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESNc1ncc(C(=O)NCc2ccc(C(F)(F)F)nc2)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C20H15Cl2F3N4O2/c21-14-2-1-3-15(22)13(14)10-31-16-6-12(9-28-18(16)26)19(30)29-8-11-4-5-17(27-7-11)20(23,24)25/h1-7,9H,8,10H2,(H2,26,28)(H,29,30)
InChIKeyCNYMIUYDDVFABR-UHFFFAOYSA-N
MW471.27 g/mol
LogP4.89
Rot. Bonds6

About 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide

6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 58886296) has the molecular formula C20H15Cl2F3N4O2 and a molecular weight of 471.27 g/mol. Its IUPAC name is 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID58886296
Molecular FormulaC20H15Cl2F3N4O2
Molecular Weight471.27 g/mol
Exact Mass470.05
IUPAC Name6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESNc1ncc(C(=O)NCc2ccc(C(F)(F)F)nc2)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C20H15Cl2F3N4O2/c21-14-2-1-3-15(22)13(14)10-31-16-6-12(9-28-18(16)26)19(30)29-8-11-4-5-17(27-7-11)20(23,24)25/h1-7,9H,8,10H2,(H2,26,28)(H,29,30)
InChIKeyCNYMIUYDDVFABR-UHFFFAOYSA-N
XLogP4.89
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.27
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 58885848
4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid
CID 10318129
6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide
CID 58885815
4-[benzoyl-[(2,3-dichlorophenyl)methyl]amino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 69181074
N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide
CID 166319426
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501294
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 71197021
4-[(3-chlorophenyl)methyl-methylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 140515248
N-[(6-amino-3-pyridinyl)methyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166319423
6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 62186973
4-[(2,3-dichlorophenyl)methyl-[3-(dimethylamino)propylsulfonyl]amino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 69182528

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 58886296) is 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide is Nc1ncc(C(=O)NCc2ccc(C(F)(F)F)nc2)cc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is CNYMIUYDDVFABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F3N4O2/c21-14-2-1-3-15(22)13(14)10-31-16-6-12(9-28-18(16)26)19(30)29-8-11-4-5-17(27-7-11)20(23,24)25/h1-7,9H,8,10H2,(H2,26,28)(H,29,30).
What are the key properties of 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 471.27 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58886296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).