N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C19H19N7O — CID 133318404

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1cc(C)n(-c2ccc(CNc3ncccc3-c3nc(C)no3)cn2)n1
InChIInChI=1S/C19H19N7O/c1-12-9-13(2)26(24-12)17-7-6-15(10-21-17)11-22-18-16(5-4-8-20-18)19-23-14(3)25-27-19/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyAWZRTQIGQIOVRZ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.25
Rot. Bonds5

About N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133318404) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133318404
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1cc(C)n(-c2ccc(CNc3ncccc3-c3nc(C)no3)cn2)n1
InChIInChI=1S/C19H19N7O/c1-12-9-13(2)26(24-12)17-7-6-15(10-21-17)11-22-18-16(5-4-8-20-18)19-23-14(3)25-27-19/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyAWZRTQIGQIOVRZ-UHFFFAOYSA-N
XLogP3.25
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 133318404) is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Cc1cc(C)n(-c2ccc(CNc3ncccc3-c3nc(C)no3)cn2)n1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is AWZRTQIGQIOVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-12-9-13(2)26(24-12)17-7-6-15(10-21-17)11-22-18-16(5-4-8-20-18)19-23-14(3)25-27-19/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 361.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133318404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).