N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide

C18H19N5O — CID 58487185

IUPACN-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn(C)nc3C)c(N)n2)cc1
InChIInChI=1S/C18H19N5O/c1-11-4-6-13(7-5-11)18(24)21-16-9-8-14(17(19)20-16)15-10-23(3)22-12(15)2/h4-10H,1-3H3,(H3,19,20,21,24)
InChIKeyIHAZTYRHUNLGDK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.93
Rot. Bonds3

About N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide

N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide (PubChem CID 58487185) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
PubChem CID58487185
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn(C)nc3C)c(N)n2)cc1
InChIInChI=1S/C18H19N5O/c1-11-4-6-13(7-5-11)18(24)21-16-9-8-14(17(19)20-16)15-10-23(3)22-12(15)2/h4-10H,1-3H3,(H3,19,20,21,24)
InChIKeyIHAZTYRHUNLGDK-UHFFFAOYSA-N
XLogP2.93
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide (CID 58487185) is N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(-c3cn(C)nc3C)c(N)n2)cc1.
What is the InChIKey of N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide?
The InChIKey is IHAZTYRHUNLGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-4-6-13(7-5-11)18(24)21-16-9-8-14(17(19)20-16)15-10-23(3)22-12(15)2/h4-10H,1-3H3,(H3,19,20,21,24).
What are the key properties of N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide?
N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 58487185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).