N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C22H23F3N2O2 — CID 44571529

IUPACN-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C22H23F3N2O2/c23-22(24,25)19-6-2-1-5-18(19)20-10-9-16(12-26-20)21(28)27(13-15-7-8-15)14-17-4-3-11-29-17/h1-2,5-6,9-10,12,15,17H,3-4,7-8,11,13-14H2
InChIKeyRJIKYRXZEMHRSZ-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.80
Rot. Bonds6

About N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 44571529) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID44571529
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C22H23F3N2O2/c23-22(24,25)19-6-2-1-5-18(19)20-10-9-16(12-26-20)21(28)27(13-15-7-8-15)14-17-4-3-11-29-17/h1-2,5-6,9-10,12,15,17H,3-4,7-8,11,13-14H2
InChIKeyRJIKYRXZEMHRSZ-UHFFFAOYSA-N
XLogP4.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 44571529) is N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(CC1CC1)CC1CCCO1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is RJIKYRXZEMHRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c23-22(24,25)19-6-2-1-5-18(19)20-10-9-16(12-26-20)21(28)27(13-15-7-8-15)14-17-4-3-11-29-17/h1-2,5-6,9-10,12,15,17H,3-4,7-8,11,13-14H2.
What are the key properties of N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44571529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).