2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide

C19H25N3O — CID 122560179

IUPAC2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide
SMILESCc1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cnc1N
InChIInChI=1S/C19H25N3O/c1-12(2)22(13(3)4)19(23)17-9-7-6-8-16(17)15-10-14(5)18(20)21-11-15/h6-13H,1-5H3,(H2,20,21)
InChIKeyVPSJPGUCWDIPBY-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.90
Rot. Bonds4

About 2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide

2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide (PubChem CID 122560179) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide
PubChem CID122560179
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide
SMILESCc1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cnc1N
InChIInChI=1S/C19H25N3O/c1-12(2)22(13(3)4)19(23)17-9-7-6-8-16(17)15-10-14(5)18(20)21-11-15/h6-13H,1-5H3,(H2,20,21)
InChIKeyVPSJPGUCWDIPBY-UHFFFAOYSA-N
XLogP3.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide (CID 122560179) is 2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide is Cc1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cnc1N.
What is the InChIKey of 2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is VPSJPGUCWDIPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-12(2)22(13(3)4)19(23)17-9-7-6-8-16(17)15-10-14(5)18(20)21-11-15/h6-13H,1-5H3,(H2,20,21).
What are the key properties of 2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide?
2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 311.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 122560179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).