3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide

C17H14ClN5O — CID 58349153

IUPAC3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide
SMILESCN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H14ClN5O/c1-23(16-9-20-11-21-10-16)15-6-14(7-19-8-15)22-17(24)12-3-2-4-13(18)5-12/h2-11H,1H3,(H,22,24)
InChIKeyMIYKVJXPSQOUTN-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.55
Rot. Bonds4

About 3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide

3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide (PubChem CID 58349153) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide
PubChem CID58349153
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide
SMILESCN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H14ClN5O/c1-23(16-9-20-11-21-10-16)15-6-14(7-19-8-15)22-17(24)12-3-2-4-13(18)5-12/h2-11H,1H3,(H,22,24)
InChIKeyMIYKVJXPSQOUTN-UHFFFAOYSA-N
XLogP3.55
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide (CID 58349153) is 3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide is CN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide?
The InChIKey is MIYKVJXPSQOUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-23(16-9-20-11-21-10-16)15-6-14(7-19-8-15)22-17(24)12-3-2-4-13(18)5-12/h2-11H,1H3,(H,22,24).
What are the key properties of 3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide?
3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide has a molecular weight of 339.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 58349153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).