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

C22H25N5O3 — CID 55954642

IUPACN-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide
SMILESCCCc1noc(CCCC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)n1
InChIInChI=1S/C22H25N5O3/c1-2-5-19-26-21(30-27-19)9-4-8-20(28)24-15-16-6-3-7-18(14-16)25-22(29)17-10-12-23-13-11-17/h3,6-7,10-14H,2,4-5,8-9,15H2,1H3,(H,24,28)(H,25,29)
InChIKeyHOWBQWXAFOSLQO-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.31
Rot. Bonds10

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

N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55954642) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID55954642
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide
SMILESCCCc1noc(CCCC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)n1
InChIInChI=1S/C22H25N5O3/c1-2-5-19-26-21(30-27-19)9-4-8-20(28)24-15-16-6-3-7-18(14-16)25-22(29)17-10-12-23-13-11-17/h3,6-7,10-14H,2,4-5,8-9,15H2,1H3,(H,24,28)(H,25,29)
InChIKeyHOWBQWXAFOSLQO-UHFFFAOYSA-N
XLogP3.31
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide
CID 39678269
N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 87041751
N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120564934
N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 47064659
3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide
CID 55724183
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide
CID 47070233
N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55853359
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide
CID 55854782

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide (CID 55954642) is N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide is CCCc1noc(CCCC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)n1.
What is the InChIKey of N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is HOWBQWXAFOSLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-2-5-19-26-21(30-27-19)9-4-8-20(28)24-15-16-6-3-7-18(14-16)25-22(29)17-10-12-23-13-11-17/h3,6-7,10-14H,2,4-5,8-9,15H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55954642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).