5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide

C20H14ClN5O3 — CID 90563062

IUPAC5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C20H14ClN5O3/c21-15-9-14(11-23-20(15)28)19(27)24-16-4-2-1-3-13(16)10-17-25-18(26-29-17)12-5-7-22-8-6-12/h1-9,11H,10H2,(H,23,28)(H,24,27)
InChIKeyZIPKSQGKUQVZDQ-UHFFFAOYSA-N
MW407.82 g/mol
LogP3.32
Rot. Bonds5

About 5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide

5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide (PubChem CID 90563062) has the molecular formula C20H14ClN5O3 and a molecular weight of 407.82 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide
PubChem CID90563062
Molecular FormulaC20H14ClN5O3
Molecular Weight407.82 g/mol
Exact Mass407.08
IUPAC Name5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C20H14ClN5O3/c21-15-9-14(11-23-20(15)28)19(27)24-16-4-2-1-3-13(16)10-17-25-18(26-29-17)12-5-7-22-8-6-12/h1-9,11H,10H2,(H,23,28)(H,24,27)
InChIKeyZIPKSQGKUQVZDQ-UHFFFAOYSA-N
XLogP3.32
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.82
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90562819
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563077
2,3,4-trifluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563080
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90562953
4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562912
2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800533
6-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-indole-2-carboxamide
CID 90563019
2-phenyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90562946
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90563058
1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563093

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide (CID 90563062) is 5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide is O=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is ZIPKSQGKUQVZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O3/c21-15-9-14(11-23-20(15)28)19(27)24-16-4-2-1-3-13(16)10-17-25-18(26-29-17)12-5-7-22-8-6-12/h1-9,11H,10H2,(H,23,28)(H,24,27).
What are the key properties of 5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide?
5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 407.82 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90563062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).