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

C21H24ClN3O — CID 11474160

IUPACN-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1
InChIInChI=1S/C21H24ClN3O/c1-21(2,3)16-6-8-17(9-7-16)24-20(26)15-10-13-25(14-11-15)19-18(22)5-4-12-23-19/h4-10,12H,11,13-14H2,1-3H3,(H,24,26)
InChIKeyYNLRTUISAONTAY-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.81
Rot. Bonds3

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

N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11474160) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11474160
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC NameN-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1
InChIInChI=1S/C21H24ClN3O/c1-21(2,3)16-6-8-17(9-7-16)24-20(26)15-10-13-25(14-11-15)19-18(22)5-4-12-23-19/h4-10,12H,11,13-14H2,1-3H3,(H,24,26)
InChIKeyYNLRTUISAONTAY-UHFFFAOYSA-N
XLogP4.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11474160) is N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is YNLRTUISAONTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-21(2,3)16-6-8-17(9-7-16)24-20(26)15-10-13-25(14-11-15)19-18(22)5-4-12-23-19/h4-10,12H,11,13-14H2,1-3H3,(H,24,26).
What are the key properties of N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 369.90 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11474160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).