N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide

C18H12N4O2 — CID 3463680

IUPACN-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)o1)c1ccc2ccccc2c1
InChIInChI=1S/C18H12N4O2/c23-16(15-6-5-12-3-1-2-4-14(12)11-15)20-18-22-21-17(24-18)13-7-9-19-10-8-13/h1-11H,(H,20,22,23)
InChIKeyZXZRLLLGMUSORB-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.54
Rot. Bonds3

About N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide

N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 3463680) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide
PubChem CID3463680
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC NameN-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)o1)c1ccc2ccccc2c1
InChIInChI=1S/C18H12N4O2/c23-16(15-6-5-12-3-1-2-4-14(12)11-15)20-18-22-21-17(24-18)13-7-9-19-10-8-13/h1-11H,(H,20,22,23)
InChIKeyZXZRLLLGMUSORB-UHFFFAOYSA-N
XLogP3.54
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-1,3,4-oxadiazol-2-amine
CID 23644873
N-[4-(propan-2-yl)phenyl]-5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-1,3,4-oxadiazol-2-amine
CID 23644874
3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3397365
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7100780
(S)-N1-(5-(isoquinolin-6-yl)-1,3,4-oxadiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 25175218
2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 3463671
2-fluoro-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3463675
3-methyl-N-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4645483
2-methyl-N-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 5078768
4-Methyl-N-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]benzamide
CID 5175267
N-benzyl-5-(3-fluoroisoquinolin-6-yl)-1,3,4-oxadiazol-2-amine
CID 72547516
N-benzyl-5-isoquinolin-6-yl-1,3,4-oxadiazol-2-amine
CID 76313690

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide (CID 3463680) is N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide is O=C(Nc1nnc(-c2ccncc2)o1)c1ccc2ccccc2c1.
What is the InChIKey of N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is ZXZRLLLGMUSORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-16(15-6-5-12-3-1-2-4-14(12)11-15)20-18-22-21-17(24-18)13-7-9-19-10-8-13/h1-11H,(H,20,22,23).
What are the key properties of N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide?
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 3463680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).