N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C16H13N5O — CID 56885158

IUPACN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1ccc(-c2nnc(CNc3ccc4cc[nH]c4n3)o2)cc1
InChIInChI=1S/C16H13N5O/c1-2-4-12(5-3-1)16-21-20-14(22-16)10-18-13-7-6-11-8-9-17-15(11)19-13/h1-9H,10H2,(H2,17,18,19)
InChIKeyMPYJHIIYZXBBCD-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.22
Rot. Bonds4

About N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56885158) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56885158
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1ccc(-c2nnc(CNc3ccc4cc[nH]c4n3)o2)cc1
InChIInChI=1S/C16H13N5O/c1-2-4-12(5-3-1)16-21-20-14(22-16)10-18-13-7-6-11-8-9-17-15(11)19-13/h1-9H,10H2,(H2,17,18,19)
InChIKeyMPYJHIIYZXBBCD-UHFFFAOYSA-N
XLogP3.22
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

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Related Compounds

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
CID 5122987
4-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-amine
CID 18870599
2-bromo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 60683451
3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
CID 103746773
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 18870606
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 78795471
N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 58086745
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-amine
CID 155812298
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793084
2,4-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870586
2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 115406813
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870590

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56885158) is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is c1ccc(-c2nnc(CNc3ccc4cc[nH]c4n3)o2)cc1.
What is the InChIKey of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is MPYJHIIYZXBBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-2-4-12(5-3-1)16-21-20-14(22-16)10-18-13-7-6-11-8-9-17-15(11)19-13/h1-9H,10H2,(H2,17,18,19).
What are the key properties of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 291.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56885158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).