3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide

C17H15N5O — CID 140566160

IUPAC3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
SMILESCN(c1cccc(C(N)=O)c1)c1ncccc1-c1ccncn1
InChIInChI=1S/C17H15N5O/c1-22(13-5-2-4-12(10-13)16(18)23)17-14(6-3-8-20-17)15-7-9-19-11-21-15/h2-11H,1H3,(H2,18,23)
InChIKeyYIVKAXWUVAAGTI-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.41
Rot. Bonds4

About 3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide

3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide (PubChem CID 140566160) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide.

Molecular Properties

Compound Name3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
PubChem CID140566160
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
SMILESCN(c1cccc(C(N)=O)c1)c1ncccc1-c1ccncn1
InChIInChI=1S/C17H15N5O/c1-22(13-5-2-4-12(10-13)16(18)23)17-14(6-3-8-20-17)15-7-9-19-11-21-15/h2-11H,1H3,(H2,18,23)
InChIKeyYIVKAXWUVAAGTI-UHFFFAOYSA-N
XLogP2.41
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide?
The IUPAC name of 3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide (CID 140566160) is 3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide.
What is the SMILES notation for 3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide?
The canonical SMILES for 3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide is CN(c1cccc(C(N)=O)c1)c1ncccc1-c1ccncn1.
What is the InChIKey of 3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide?
The InChIKey is YIVKAXWUVAAGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-22(13-5-2-4-12(10-13)16(18)23)17-14(6-3-8-20-17)15-7-9-19-11-21-15/h2-11H,1H3,(H2,18,23).
What are the key properties of 3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide?
3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide has a molecular weight of 305.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide is sourced from PubChem (CID 140566160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).