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

C21H23ClFN3O — CID 11257718

IUPACN-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)c(F)c1
InChIInChI=1S/C21H23ClFN3O/c1-21(2,3)15-6-7-18(17(23)13-15)25-20(27)14-8-11-26(12-9-14)19-16(22)5-4-10-24-19/h4-8,10,13H,9,11-12H2,1-3H3,(H,25,27)
InChIKeyRBBZYRPXJSLVNN-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.95
Rot. Bonds3

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

N-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11257718) has the molecular formula C21H23ClFN3O and a molecular weight of 387.89 g/mol. Its IUPAC name is N-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11257718
Molecular FormulaC21H23ClFN3O
Molecular Weight387.89 g/mol
Exact Mass387.15
IUPAC NameN-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)c(F)c1
InChIInChI=1S/C21H23ClFN3O/c1-21(2,3)15-6-7-18(17(23)13-15)25-20(27)14-8-11-26(12-9-14)19-16(22)5-4-10-24-19/h4-8,10,13H,9,11-12H2,1-3H3,(H,25,27)
InChIKeyRBBZYRPXJSLVNN-UHFFFAOYSA-N
XLogP4.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25224408
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(E)-N-(5-chloropyridin-2-yl)-2-methyl-3-phenylprop-2-enamide
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4-chloro-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11257718) is N-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)c(F)c1.
What is the InChIKey of N-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is RBBZYRPXJSLVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O/c1-21(2,3)15-6-7-18(17(23)13-15)25-20(27)14-8-11-26(12-9-14)19-16(22)5-4-10-24-19/h4-8,10,13H,9,11-12H2,1-3H3,(H,25,27).
What are the key properties of N-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
N-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 387.89 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11257718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).