2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide

C22H29N7O2 — CID 24824458

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CN3CCC(CN)CC3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C22H29N7O2/c1-14-10-15(2)29(27-14)20-11-19(25-22(26-20)18-5-4-16(3)31-18)24-21(30)13-28-8-6-17(12-23)7-9-28/h4-5,10-11,17H,6-9,12-13,23H2,1-3H3,(H,24,25,26,30)
InChIKeyDKOOWVTUCFCYRO-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.46
Rot. Bonds6

About 2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide

2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 24824458) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
PubChem CID24824458
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CN3CCC(CN)CC3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C22H29N7O2/c1-14-10-15(2)29(27-14)20-11-19(25-22(26-20)18-5-4-16(3)31-18)24-21(30)13-28-8-6-17(12-23)7-9-28/h4-5,10-11,17H,6-9,12-13,23H2,1-3H3,(H,24,25,26,30)
InChIKeyDKOOWVTUCFCYRO-UHFFFAOYSA-N
XLogP2.46
TPSA115.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide (CID 24824458) is 2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide is Cc1cc(C)n(-c2cc(NC(=O)CN3CCC(CN)CC3)nc(-c3ccc(C)o3)n2)n1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is DKOOWVTUCFCYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-14-10-15(2)29(27-14)20-11-19(25-22(26-20)18-5-4-16(3)31-18)24-21(30)13-28-8-6-17(12-23)7-9-28/h4-5,10-11,17H,6-9,12-13,23H2,1-3H3,(H,24,25,26,30).
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 423.52 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 24824458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).