1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C18H15ClF3N3O2 — CID 11280957

IUPAC1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C18H15ClF3N3O2/c19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22/h1-7,9H,8,10-11H2,(H,24,26)
InChIKeyRAOGDPJIUJWXAH-UHFFFAOYSA-N
MW397.78 g/mol
LogP4.41
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide

1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11280957) has the molecular formula C18H15ClF3N3O2 and a molecular weight of 397.78 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11280957
Molecular FormulaC18H15ClF3N3O2
Molecular Weight397.78 g/mol
Exact Mass397.08
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C18H15ClF3N3O2/c19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22/h1-7,9H,8,10-11H2,(H,24,26)
InChIKeyRAOGDPJIUJWXAH-UHFFFAOYSA-N
XLogP4.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11280957) is 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)C1=CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is RAOGDPJIUJWXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2/c19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22/h1-7,9H,8,10-11H2,(H,24,26).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 397.78 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11280957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).