N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C24H26ClN5O2 — CID 71466725

IUPACN-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1nnc(-c2cnc(C3=CCN(C(=O)Nc4ccc(C(C)(C)C)cc4)CC3)c(Cl)c2)o1
InChIInChI=1S/C24H26ClN5O2/c1-15-28-29-22(32-15)17-13-20(25)21(26-14-17)16-9-11-30(12-10-16)23(31)27-19-7-5-18(6-8-19)24(2,3)4/h5-9,13-14H,10-12H2,1-4H3,(H,27,31)
InChIKeyBMPJYOQUGYEGFE-UHFFFAOYSA-N
MW451.96 g/mol
LogP5.71
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 71466725) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID71466725
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC NameN-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1nnc(-c2cnc(C3=CCN(C(=O)Nc4ccc(C(C)(C)C)cc4)CC3)c(Cl)c2)o1
InChIInChI=1S/C24H26ClN5O2/c1-15-28-29-22(32-15)17-13-20(25)21(26-14-17)16-9-11-30(12-10-16)23(31)27-19-7-5-18(6-8-19)24(2,3)4/h5-9,13-14H,10-12H2,1-4H3,(H,27,31)
InChIKeyBMPJYOQUGYEGFE-UHFFFAOYSA-N
XLogP5.71
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.96
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(propan-2-yl)phenyl]-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 15949471
N-(4-tert-butylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644872
N-(4-tert-butylphenyl)-5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644875
N-(4-tert-butylphenyl)-4-(3-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl)benzamide
CID 44416415
4-(3-(1,3,4-oxadiazol-2-yl)pyridin-2-yl)-N-(4-tert-butylphenyl)benzamide
CID 44416470
4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyridin-2-yl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042810
N-(2-phenylphenyl)-8-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)octanamide
CID 137656518
ethyl 5-chloro-6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxylate
CID 57770437
4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71015546
4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042797
4-[3-chloro-5-[5-[(1R)-1,2-dihydroxyethyl]-1,3,4-oxadiazol-2-yl]pyridin-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042799
4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042816

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 71466725) is N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1nnc(-c2cnc(C3=CCN(C(=O)Nc4ccc(C(C)(C)C)cc4)CC3)c(Cl)c2)o1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is BMPJYOQUGYEGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-15-28-29-22(32-15)17-13-20(25)21(26-14-17)16-9-11-30(12-10-16)23(31)27-19-7-5-18(6-8-19)24(2,3)4/h5-9,13-14H,10-12H2,1-4H3,(H,27,31).
What are the key properties of N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 451.96 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 71466725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).