N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide

C17H18N6O — CID 50974104

IUPACN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide
SMILESCNc1ncc(CN(C)C(=O)c2cccc(-n3cccn3)c2)cn1
InChIInChI=1S/C17H18N6O/c1-18-17-19-10-13(11-20-17)12-22(2)16(24)14-5-3-6-15(9-14)23-8-4-7-21-23/h3-11H,12H2,1-2H3,(H,18,19,20)
InChIKeyYVBSIAITIVCOSK-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide

N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide (PubChem CID 50974104) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide
PubChem CID50974104
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide
SMILESCNc1ncc(CN(C)C(=O)c2cccc(-n3cccn3)c2)cn1
InChIInChI=1S/C17H18N6O/c1-18-17-19-10-13(11-20-17)12-22(2)16(24)14-5-3-6-15(9-14)23-8-4-7-21-23/h3-11H,12H2,1-2H3,(H,18,19,20)
InChIKeyYVBSIAITIVCOSK-UHFFFAOYSA-N
XLogP1.98
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide (CID 50974104) is N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide is CNc1ncc(CN(C)C(=O)c2cccc(-n3cccn3)c2)cn1.
What is the InChIKey of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is YVBSIAITIVCOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-18-17-19-10-13(11-20-17)12-22(2)16(24)14-5-3-6-15(9-14)23-8-4-7-21-23/h3-11H,12H2,1-2H3,(H,18,19,20).
What are the key properties of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide?
N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 322.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 50974104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).