N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine

C15H12N6O — CID 135862901

IUPACN-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
SMILESc1cncc(CNc2nnc(-c3c[nH]c4ncccc34)o2)c1
InChIInChI=1S/C15H12N6O/c1-3-10(7-16-5-1)8-19-15-21-20-14(22-15)12-9-18-13-11(12)4-2-6-17-13/h1-7,9H,8H2,(H,17,18)(H,19,21)
InChIKeyHKISDSMKRWOKGX-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.62
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine

N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 135862901) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID135862901
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC NameN-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
SMILESc1cncc(CNc2nnc(-c3c[nH]c4ncccc34)o2)c1
InChIInChI=1S/C15H12N6O/c1-3-10(7-16-5-1)8-19-15-21-20-14(22-15)12-9-18-13-11(12)4-2-6-17-13/h1-7,9H,8H2,(H,17,18)(H,19,21)
InChIKeyHKISDSMKRWOKGX-UHFFFAOYSA-N
XLogP2.62
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 136240264
CID 136240264
CID 136245297
CID 136245297
CID 136247014
CID 136247014
CID 44449577
CID 44449577
CID 135862898
CID 135862898
CID 44449479
CID 44449479
CID 136240093
CID 136240093
CID 136240262
CID 136240262
CID 136240263
CID 136240263
CID 136240265
CID 136240265
CID 136245066
CID 136245066
CID 136245067
CID 136245067

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine (CID 135862901) is N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine is c1cncc(CNc2nnc(-c3c[nH]c4ncccc34)o2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HKISDSMKRWOKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c1-3-10(7-16-5-1)8-19-15-21-20-14(22-15)12-9-18-13-11(12)4-2-6-17-13/h1-7,9H,8H2,(H,17,18)(H,19,21).
What are the key properties of N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine?
N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 292.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 135862901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).