6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

C18H24F3N3O3 — CID 71093527

IUPAC6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(=O)NC
InChIInChI=1S/C18H24F3N3O3/c1-4-17(5-2,16(26)22-3)24-14(25)13-9-8-12(18(19,20)21)15(23-13)27-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyIZRAKQFSHFVXGF-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.92
Rot. Bonds8

About 6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 71093527) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID71093527
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC Name6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(=O)NC
InChIInChI=1S/C18H24F3N3O3/c1-4-17(5-2,16(26)22-3)24-14(25)13-9-8-12(18(19,20)21)15(23-13)27-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyIZRAKQFSHFVXGF-UHFFFAOYSA-N
XLogP2.92
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 71093527) is 6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is CCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(=O)NC.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is IZRAKQFSHFVXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-4-17(5-2,16(26)22-3)24-14(25)13-9-8-12(18(19,20)21)15(23-13)27-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,22,26)(H,24,25).
What are the key properties of 6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 71093527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).