N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide

C19H23N5O2 — CID 122299598

IUPACN-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide
SMILESCC1CCN(c2ncc(NC(=O)CNC(=O)c3ccccc3)cn2)CC1
InChIInChI=1S/C19H23N5O2/c1-14-7-9-24(10-8-14)19-21-11-16(12-22-19)23-17(25)13-20-18(26)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,26)(H,23,25)
InChIKeyVIISHTBBEQJQQN-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.08
Rot. Bonds5

About N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide

N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide (PubChem CID 122299598) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide
PubChem CID122299598
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide
SMILESCC1CCN(c2ncc(NC(=O)CNC(=O)c3ccccc3)cn2)CC1
InChIInChI=1S/C19H23N5O2/c1-14-7-9-24(10-8-14)19-21-11-16(12-22-19)23-17(25)13-20-18(26)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,26)(H,23,25)
InChIKeyVIISHTBBEQJQQN-UHFFFAOYSA-N
XLogP2.08
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide
CID 122299799
2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
CID 122299697
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122299599
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857
3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299943
2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
CID 122299817
2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide
CID 109246476
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-2-carboxamide
CID 122299715
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-phenyloxane-4-carboxamide
CID 122299702
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122299773
3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299547
N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 109250908

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide (CID 122299598) is N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide is CC1CCN(c2ncc(NC(=O)CNC(=O)c3ccccc3)cn2)CC1.
What is the InChIKey of N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is VIISHTBBEQJQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-7-9-24(10-8-14)19-21-11-16(12-22-19)23-17(25)13-20-18(26)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,26)(H,23,25).
What are the key properties of N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 353.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 122299598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).