1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C15H16ClN5O — CID 50972313

IUPAC1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CN(C)Cc2cccn2-c2ccc(Cl)cn2)no1
InChIInChI=1S/C15H16ClN5O/c1-11-18-14(19-22-11)10-20(2)9-13-4-3-7-21(13)15-6-5-12(16)8-17-15/h3-8H,9-10H2,1-2H3
InChIKeyIBTUZDLXHSWARF-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.85
Rot. Bonds5

About 1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 50972313) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID50972313
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CN(C)Cc2cccn2-c2ccc(Cl)cn2)no1
InChIInChI=1S/C15H16ClN5O/c1-11-18-14(19-22-11)10-20(2)9-13-4-3-7-21(13)15-6-5-12(16)8-17-15/h3-8H,9-10H2,1-2H3
InChIKeyIBTUZDLXHSWARF-UHFFFAOYSA-N
XLogP2.85
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 50972313) is 1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is Cc1nc(CN(C)Cc2cccn2-c2ccc(Cl)cn2)no1.
What is the InChIKey of 1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is IBTUZDLXHSWARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-11-18-14(19-22-11)10-20(2)9-13-4-3-7-21(13)15-6-5-12(16)8-17-15/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 317.78 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 50972313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).