N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide

C20H15F4N3O2 — CID 71144436

IUPACN-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(c2ccc(F)cc2)c2ncccc2C(F)(F)F)cn1
InChIInChI=1S/C20H15F4N3O2/c1-29-16-9-6-13(11-26-16)19(28)27-17(12-4-7-14(21)8-5-12)18-15(20(22,23)24)3-2-10-25-18/h2-11,17H,1H3,(H,27,28)
InChIKeyCSWQGEPMNGFTJR-UHFFFAOYSA-N
MW405.35 g/mol
LogP4.16
Rot. Bonds5

About N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide

N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide (PubChem CID 71144436) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide
PubChem CID71144436
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC NameN-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(c2ccc(F)cc2)c2ncccc2C(F)(F)F)cn1
InChIInChI=1S/C20H15F4N3O2/c1-29-16-9-6-13(11-26-16)19(28)27-17(12-4-7-14(21)8-5-12)18-15(20(22,23)24)3-2-10-25-18/h2-11,17H,1H3,(H,27,28)
InChIKeyCSWQGEPMNGFTJR-UHFFFAOYSA-N
XLogP4.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide
CID 71144663
4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 123503906
N-[1-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 134016008
3-methoxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 89310513
N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 89310572
5-methoxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-2-carboxamide
CID 89310600
6-cyano-N-[(S)-[4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 90124817
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 84580545
N-[(S)-[4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylpyridine-4-carboxamide
CID 90124742
4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide
CID 89310509
N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide
CID 71144067
N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 90124743

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide (CID 71144436) is N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NC(c2ccc(F)cc2)c2ncccc2C(F)(F)F)cn1.
What is the InChIKey of N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is CSWQGEPMNGFTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2/c1-29-16-9-6-13(11-26-16)19(28)27-17(12-4-7-14(21)8-5-12)18-15(20(22,23)24)3-2-10-25-18/h2-11,17H,1H3,(H,27,28).
What are the key properties of N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide?
N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 405.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 71144436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).