N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide

C18H13N5O2 — CID 92576803

IUPACN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nnc(-c2nccc3ccccc23)o1)c1cccnc1
InChIInChI=1S/C18H13N5O2/c24-17(13-5-3-8-19-10-13)21-11-15-22-23-18(25-15)16-14-6-2-1-4-12(14)7-9-20-16/h1-10H,11H2,(H,21,24)
InChIKeyNAVOWZNYDYPAJR-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.61
Rot. Bonds4

About N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide

N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 92576803) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID92576803
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC NameN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nnc(-c2nccc3ccccc23)o1)c1cccnc1
InChIInChI=1S/C18H13N5O2/c24-17(13-5-3-8-19-10-13)21-11-15-22-23-18(25-15)16-14-6-2-1-4-12(14)7-9-20-16/h1-10H,11H2,(H,21,24)
InChIKeyNAVOWZNYDYPAJR-UHFFFAOYSA-N
XLogP2.61
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92574158
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 92566290
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide
CID 92576796
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 24957460
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 110714802
2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318698
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318682
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 50848268
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-3-carboxamide
CID 110321949
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305

Frequently Asked Questions

What is the IUPAC name of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide (CID 92576803) is N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide is O=C(NCc1nnc(-c2nccc3ccccc23)o1)c1cccnc1.
What is the InChIKey of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is NAVOWZNYDYPAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c24-17(13-5-3-8-19-10-13)21-11-15-22-23-18(25-15)16-14-6-2-1-4-12(14)7-9-20-16/h1-10H,11H2,(H,21,24).
What are the key properties of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide?
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 92576803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).