2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

C19H29N7O — CID 83275781

IUPAC2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCc3c(C)nn(C)c3C)CC2)n1
InChIInChI=1S/C19H29N7O/c1-13-16(14(2)25(4)24-13)12-22-18(27)11-15-6-9-26(10-7-15)17-5-8-21-19(20-3)23-17/h5,8,15H,6-7,9-12H2,1-4H3,(H,22,27)(H,20,21,23)
InChIKeyAULDSHTWJZANBS-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.79
Rot. Bonds6

About 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 83275781) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
PubChem CID83275781
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCc3c(C)nn(C)c3C)CC2)n1
InChIInChI=1S/C19H29N7O/c1-13-16(14(2)25(4)24-13)12-22-18(27)11-15-6-9-26(10-7-15)17-5-8-21-19(20-3)23-17/h5,8,15H,6-7,9-12H2,1-4H3,(H,22,27)(H,20,21,23)
InChIKeyAULDSHTWJZANBS-UHFFFAOYSA-N
XLogP1.79
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 83275781) is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is CNc1nccc(N2CCC(CC(=O)NCc3c(C)nn(C)c3C)CC2)n1.
What is the InChIKey of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is AULDSHTWJZANBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-13-16(14(2)25(4)24-13)12-22-18(27)11-15-6-9-26(10-7-15)17-5-8-21-19(20-3)23-17/h5,8,15H,6-7,9-12H2,1-4H3,(H,22,27)(H,20,21,23).
What are the key properties of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 371.49 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 83275781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).