N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide

C16H15N5O3 — CID 17173598

IUPACN-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c2nonc12)c1cccnc1
InChIInChI=1S/C16H15N5O3/c22-16(11-2-1-5-17-10-11)18-12-3-4-13(15-14(12)19-24-20-15)21-6-8-23-9-7-21/h1-5,10H,6-9H2,(H,18,22)
InChIKeyMENDPSPCIDXZKU-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.71
Rot. Bonds3

About N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide

N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide (PubChem CID 17173598) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide
PubChem CID17173598
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c2nonc12)c1cccnc1
InChIInChI=1S/C16H15N5O3/c22-16(11-2-1-5-17-10-11)18-12-3-4-13(15-14(12)19-24-20-15)21-6-8-23-9-7-21/h1-5,10H,6-9H2,(H,18,22)
InChIKeyMENDPSPCIDXZKU-UHFFFAOYSA-N
XLogP1.71
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17174256
2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17173694
N-(5-methoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 6473397
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide
CID 4770573
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)cyclopentanecarboxamide
CID 752810
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide
CID 4088765
1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea
CID 2954287
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
(1R,2S,3S,4R)-3-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124722411
(1S,2R,3S,4R)-3-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51706351

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide (CID 17173598) is N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)c2nonc12)c1cccnc1.
What is the InChIKey of N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide?
The InChIKey is MENDPSPCIDXZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-16(11-2-1-5-17-10-11)18-12-3-4-13(15-14(12)19-24-20-15)21-6-8-23-9-7-21/h1-5,10H,6-9H2,(H,18,22).
What are the key properties of N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide?
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 17173598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).