N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide

C24H18F6N4O5 — CID 137406698

IUPACN-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2(C(F)(F)F)CC2)ncc1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C24H18F6N4O5/c1-37-18-9-13(39-24(28,29)30)2-3-16(18)38-17-10-19(22(5-6-22)23(25,26)27)33-11-14(17)21(36)34-12-4-7-32-15(8-12)20(31)35/h2-4,7-11H,5-6H2,1H3,(H2,31,35)(H,32,34,36)
InChIKeyNOENNSKMMZUPKR-UHFFFAOYSA-N
MW556.42 g/mol
LogP5.12
Rot. Bonds8

About N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide

N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide (PubChem CID 137406698) has the molecular formula C24H18F6N4O5 and a molecular weight of 556.42 g/mol. Its IUPAC name is N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
PubChem CID137406698
Molecular FormulaC24H18F6N4O5
Molecular Weight556.42 g/mol
Exact Mass556.12
IUPAC NameN-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2(C(F)(F)F)CC2)ncc1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C24H18F6N4O5/c1-37-18-9-13(39-24(28,29)30)2-3-16(18)38-17-10-19(22(5-6-22)23(25,26)27)33-11-14(17)21(36)34-12-4-7-32-15(8-12)20(31)35/h2-4,7-11H,5-6H2,1H3,(H2,31,35)(H,32,34,36)
InChIKeyNOENNSKMMZUPKR-UHFFFAOYSA-N
XLogP5.12
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.42
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 137406306
4-[[2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406803
N-[2-(1-aminoethenyl)-4-pyridinyl]-6-tert-butyl-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 160753957
4-[[4-(4-fluorophenyl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 167370759
N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen
CID 158292118
methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154645523
4-[[2-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645325
N-(3-carbamoylphenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137406579
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
N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
CID 159986391
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
CID 154645283

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide (CID 137406698) is N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cc(C2(C(F)(F)F)CC2)ncc1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide?
The InChIKey is NOENNSKMMZUPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F6N4O5/c1-37-18-9-13(39-24(28,29)30)2-3-16(18)38-17-10-19(22(5-6-22)23(25,26)27)33-11-14(17)21(36)34-12-4-7-32-15(8-12)20(31)35/h2-4,7-11H,5-6H2,1H3,(H2,31,35)(H,32,34,36).
What are the key properties of N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide?
N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide has a molecular weight of 556.42 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 137406698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).