N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide

C25H23N3O — CID 2386554

IUPACN-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C25H23N3O/c1-25(2,3)20-9-5-7-11-22(20)28-24(29)19-16-23(17-12-14-26-15-13-17)27-21-10-6-4-8-18(19)21/h4-16H,1-3H3,(H,28,29)
InChIKeyBIYDMEPZRBKIDI-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.85
Rot. Bonds3

About N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2386554) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2386554
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C25H23N3O/c1-25(2,3)20-9-5-7-11-22(20)28-24(29)19-16-23(17-12-14-26-15-13-17)27-21-10-6-4-8-18(19)21/h4-16H,1-3H3,(H,28,29)
InChIKeyBIYDMEPZRBKIDI-UHFFFAOYSA-N
XLogP5.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 2386554) is N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is BIYDMEPZRBKIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-25(2,3)20-9-5-7-11-22(20)28-24(29)19-16-23(17-12-14-26-15-13-17)27-21-10-6-4-8-18(19)21/h4-16H,1-3H3,(H,28,29).
What are the key properties of N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2386554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).