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1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide

C18H22N6O2 — CID 162705843

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)Nc2cnc(N)nc2)cc1)C1CCNCC1
InChIInChI=1S/C18H22N6O2/c1-24(15-6-8-20-9-7-15)17(26)13-4-2-12(3-5-13)16(25)23-14-10-21-18(19)22-11-14/h2-5,10-11,15,20H,6-9H2,1H3,(H,23,25)(H2,19,21,22)
InChIKeyYLHRAEZITKRGGU-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.14
Rot. Bonds4

About 1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide

1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide (PubChem CID 162705843) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide
PubChem CID162705843
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)Nc2cnc(N)nc2)cc1)C1CCNCC1
InChIInChI=1S/C18H22N6O2/c1-24(15-6-8-20-9-7-15)17(26)13-4-2-12(3-5-13)16(25)23-14-10-21-18(19)22-11-14/h2-5,10-11,15,20H,6-9H2,1H3,(H,23,25)(H2,19,21,22)
InChIKeyYLHRAEZITKRGGU-UHFFFAOYSA-N
XLogP1.14
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide (CID 162705843) is 1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide is CN(C(=O)c1ccc(C(=O)Nc2cnc(N)nc2)cc1)C1CCNCC1.
What is the InChIKey of 1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide?
The InChIKey is YLHRAEZITKRGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-24(15-6-8-20-9-7-15)17(26)13-4-2-12(3-5-13)16(25)23-14-10-21-18(19)22-11-14/h2-5,10-11,15,20H,6-9H2,1H3,(H,23,25)(H2,19,21,22).
What are the key properties of 1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide?
1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminopyrimidin-5-yl)-4-N-methyl-4-N-piperidin-4-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 162705843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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