6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile

C14H17N5O — CID 63748670

IUPAC6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
SMILESCCCNCCCc1nnc(-c2ccc(C#N)cn2)o1
InChIInChI=1S/C14H17N5O/c1-2-7-16-8-3-4-13-18-19-14(20-13)12-6-5-11(9-15)10-17-12/h5-6,10,16H,2-4,7-8H2,1H3
InChIKeyBRTHFYDTQTYCHJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.94
Rot. Bonds7

About 6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile

6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile (PubChem CID 63748670) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
PubChem CID63748670
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
SMILESCCCNCCCc1nnc(-c2ccc(C#N)cn2)o1
InChIInChI=1S/C14H17N5O/c1-2-7-16-8-3-4-13-18-19-14(20-13)12-6-5-11(9-15)10-17-12/h5-6,10,16H,2-4,7-8H2,1H3
InChIKeyBRTHFYDTQTYCHJ-UHFFFAOYSA-N
XLogP1.94
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[5-[3-(propan-2-ylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
CID 63748672
3-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 62137630
3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55153256
N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 114909302
N-propyl-3-(5-pyridazin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 104672330
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138559
4-[5-[3-(propan-2-ylamino)propyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 62136931
N-propyl-3-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65215590
3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 82800202
3-[5-(2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62136756
3-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 103211985
3-[5-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 82890807

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile (CID 63748670) is 6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile is CCCNCCCc1nnc(-c2ccc(C#N)cn2)o1.
What is the InChIKey of 6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile?
The InChIKey is BRTHFYDTQTYCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-7-16-8-3-4-13-18-19-14(20-13)12-6-5-11(9-15)10-17-12/h5-6,10,16H,2-4,7-8H2,1H3.
What are the key properties of 6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile?
6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile has a molecular weight of 271.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 63748670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).