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

C14H10N6O — CID 133392021

IUPAC6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCc2nc(-c3ccncc3)no2)n1
InChIInChI=1S/C14H10N6O/c15-8-11-2-1-3-12(18-11)17-9-13-19-14(20-21-13)10-4-6-16-7-5-10/h1-7H,9H2,(H,17,18)
InChIKeyKIYQQHRZEKUEFM-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.01
Rot. Bonds4

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

6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 133392021) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is 6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile
PubChem CID133392021
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCc2nc(-c3ccncc3)no2)n1
InChIInChI=1S/C14H10N6O/c15-8-11-2-1-3-12(18-11)17-9-13-19-14(20-21-13)10-4-6-16-7-5-10/h1-7H,9H2,(H,17,18)
InChIKeyKIYQQHRZEKUEFM-UHFFFAOYSA-N
XLogP2.01
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60837251
5-nitro-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 133275091
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 752713
1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 43655500
N-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 75530724
6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile
CID 119042977
N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17101587
1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one
CID 167823767
cis-(1S,3R)-2,2-dimethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859031

Frequently Asked Questions

What is the IUPAC name of 6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile (CID 133392021) is 6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile is N#Cc1cccc(NCc2nc(-c3ccncc3)no2)n1.
What is the InChIKey of 6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is KIYQQHRZEKUEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c15-8-11-2-1-3-12(18-11)17-9-13-19-14(20-21-13)10-4-6-16-7-5-10/h1-7H,9H2,(H,17,18).
What are the key properties of 6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile?
6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 278.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).