6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide

C24H23F3N4O5 — CID 137406306

IUPAC6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C(C)(C)C)ncc1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C24H23F3N4O5/c1-23(2,3)20-11-18(35-17-6-5-14(10-19(17)34-4)36-24(25,26)27)15(12-30-20)22(33)31-13-7-8-29-16(9-13)21(28)32/h5-12H,1-4H3,(H2,28,32)(H,29,31,33)
InChIKeyLAPQLWKYJCPACZ-UHFFFAOYSA-N
MW504.47 g/mol
LogP4.82
Rot. Bonds7

About 6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide

6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide (PubChem CID 137406306) has the molecular formula C24H23F3N4O5 and a molecular weight of 504.47 g/mol. Its IUPAC name is 6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
PubChem CID137406306
Molecular FormulaC24H23F3N4O5
Molecular Weight504.47 g/mol
Exact Mass504.16
IUPAC Name6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C(C)(C)C)ncc1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C24H23F3N4O5/c1-23(2,3)20-11-18(35-17-6-5-14(10-19(17)34-4)36-24(25,26)27)15(12-30-20)22(33)31-13-7-8-29-16(9-13)21(28)32/h5-12H,1-4H3,(H2,28,32)(H,29,31,33)
InChIKeyLAPQLWKYJCPACZ-UHFFFAOYSA-N
XLogP4.82
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1-aminoethenyl)-4-pyridinyl]-6-tert-butyl-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 160753957
N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 137406698
4-[[2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406803
4-[[4-(4-fluorophenyl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 167370759
N-(3-carbamoylphenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137406579
4-[[2-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645325
methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154645523
4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645123
4-[[3-methyl-2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645427
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
CID 154645283
methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 137406753
4-[[2-[2-(dimethylamino)ethoxy]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370841

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide (CID 137406306) is 6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cc(C(C)(C)C)ncc1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide?
The InChIKey is LAPQLWKYJCPACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O5/c1-23(2,3)20-11-18(35-17-6-5-14(10-19(17)34-4)36-24(25,26)27)15(12-30-20)22(33)31-13-7-8-29-16(9-13)21(28)32/h5-12H,1-4H3,(H2,28,32)(H,29,31,33).
What are the key properties of 6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide?
6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide has a molecular weight of 504.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 137406306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).