N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide

C20H21N5O3 — CID 39678269

IUPACN-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide
SMILESCCCc1noc(CCC(=O)Nc2cccc(NC(=O)c3ccncc3)c2)n1
InChIInChI=1S/C20H21N5O3/c1-2-4-17-24-19(28-25-17)8-7-18(26)22-15-5-3-6-16(13-15)23-20(27)14-9-11-21-12-10-14/h3,5-6,9-13H,2,4,7-8H2,1H3,(H,22,26)(H,23,27)
InChIKeyMLQYMPNJNXWZMR-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.24
Rot. Bonds8

About N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide

N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide (PubChem CID 39678269) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide
PubChem CID39678269
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide
SMILESCCCc1noc(CCC(=O)Nc2cccc(NC(=O)c3ccncc3)c2)n1
InChIInChI=1S/C20H21N5O3/c1-2-4-17-24-19(28-25-17)8-7-18(26)22-15-5-3-6-16(13-15)23-20(27)14-9-11-21-12-10-14/h3,5-6,9-13H,2,4,7-8H2,1H3,(H,22,26)(H,23,27)
InChIKeyMLQYMPNJNXWZMR-UHFFFAOYSA-N
XLogP3.24
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 55954642
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64795052
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55857924
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
CID 46265246
N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55878972
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid
CID 43351280
3-methyl-N-[3-(pyridine-4-carbonylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 39186715
N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 46616250
N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55853359
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492
N-[3-(butanoylamino)phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 87041023

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide (CID 39678269) is N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide is CCCc1noc(CCC(=O)Nc2cccc(NC(=O)c3ccncc3)c2)n1.
What is the InChIKey of N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide?
The InChIKey is MLQYMPNJNXWZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-2-4-17-24-19(28-25-17)8-7-18(26)22-15-5-3-6-16(13-15)23-20(27)14-9-11-21-12-10-14/h3,5-6,9-13H,2,4,7-8H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide?
N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 39678269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).