N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C17H14Cl2FN3O — CID 11474026

IUPACN-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C17H14Cl2FN3O/c18-13-4-3-12(10-15(13)20)22-17(24)11-5-8-23(9-6-11)16-14(19)2-1-7-21-16/h1-5,7,10H,6,8-9H2,(H,22,24)
InChIKeyXBRNNVOIGSDIGM-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.30
Rot. Bonds3

About N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide

N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11474026) has the molecular formula C17H14Cl2FN3O and a molecular weight of 366.22 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11474026
Molecular FormulaC17H14Cl2FN3O
Molecular Weight366.22 g/mol
Exact Mass365.05
IUPAC NameN-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C17H14Cl2FN3O/c18-13-4-3-12(10-15(13)20)22-17(24)11-5-8-23(9-6-11)16-14(19)2-1-7-21-16/h1-5,7,10H,6,8-9H2,(H,22,24)
InChIKeyXBRNNVOIGSDIGM-UHFFFAOYSA-N
XLogP4.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11474026) is N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(Nc1ccc(Cl)c(F)c1)C1=CCN(c2ncccc2Cl)CC1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is XBRNNVOIGSDIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN3O/c18-13-4-3-12(10-15(13)20)22-17(24)11-5-8-23(9-6-11)16-14(19)2-1-7-21-16/h1-5,7,10H,6,8-9H2,(H,22,24).
What are the key properties of N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11474026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).