4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide

C18H18FN5O2 — CID 133321671

IUPAC4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide
SMILESCc1noc(-c2cccnc2NCCCNC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5O2/c1-12-23-18(26-24-12)15-4-2-9-20-16(15)21-10-3-11-22-17(25)13-5-7-14(19)8-6-13/h2,4-9H,3,10-11H2,1H3,(H,20,21)(H,22,25)
InChIKeyDXOULELPBBSUFC-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.81
Rot. Bonds7

About 4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide

4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide (PubChem CID 133321671) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide
PubChem CID133321671
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide
SMILESCc1noc(-c2cccnc2NCCCNC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5O2/c1-12-23-18(26-24-12)15-4-2-9-20-16(15)21-10-3-11-22-17(25)13-5-7-14(19)8-6-13/h2,4-9H,3,10-11H2,1H3,(H,20,21)(H,22,25)
InChIKeyDXOULELPBBSUFC-UHFFFAOYSA-N
XLogP2.81
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide
CID 133319742
2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide
CID 133321682
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133347668
4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide
CID 133460629
4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide
CID 133309502
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133321160
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine
CID 133319552
N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 86802821
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine
CID 133317461
(2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol
CID 97009062
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
CID 71913140

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide (CID 133321671) is 4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide is Cc1noc(-c2cccnc2NCCCNC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide?
The InChIKey is DXOULELPBBSUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-12-23-18(26-24-12)15-4-2-9-20-16(15)21-10-3-11-22-17(25)13-5-7-14(19)8-6-13/h2,4-9H,3,10-11H2,1H3,(H,20,21)(H,22,25).
What are the key properties of 4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide?
4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide has a molecular weight of 355.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide is sourced from PubChem (CID 133321671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).