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

C15H19N5O — CID 66411630

IUPACN-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
SMILESCc1nnc(Cn2cc(CNC(C)C)c3cccnc32)o1
InChIInChI=1S/C15H19N5O/c1-10(2)17-7-12-8-20(9-14-19-18-11(3)21-14)15-13(12)5-4-6-16-15/h4-6,8,10,17H,7,9H2,1-3H3
InChIKeyKQEWYJROEUZPLL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.27
Rot. Bonds5

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

N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine (PubChem CID 66411630) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
PubChem CID66411630
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
SMILESCc1nnc(Cn2cc(CNC(C)C)c3cccnc32)o1
InChIInChI=1S/C15H19N5O/c1-10(2)17-7-12-8-20(9-14-19-18-11(3)21-14)15-13(12)5-4-6-16-15/h4-6,8,10,17H,7,9H2,1-3H3
InChIKeyKQEWYJROEUZPLL-UHFFFAOYSA-N
XLogP2.27
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine (CID 66411630) is N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine is Cc1nnc(Cn2cc(CNC(C)C)c3cccnc32)o1.
What is the InChIKey of N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine?
The InChIKey is KQEWYJROEUZPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(2)17-7-12-8-20(9-14-19-18-11(3)21-14)15-13(12)5-4-6-16-15/h4-6,8,10,17H,7,9H2,1-3H3.
What are the key properties of N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine?
N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine has a molecular weight of 285.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66411630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).