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

C19H29N7O — CID 87054148

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1nccc(N2CCC(CC(=O)N(C)Cc3cn(C)nc3C)CC2)n1
InChIInChI=1S/C19H29N7O/c1-14-16(13-25(4)23-14)12-24(3)18(27)11-15-6-9-26(10-7-15)17-5-8-21-19(20-2)22-17/h5,8,13,15H,6-7,9-12H2,1-4H3,(H,20,21,22)
InChIKeyHEZYYSIKWPMCQA-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.83
Rot. Bonds6

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 87054148) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID87054148
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1nccc(N2CCC(CC(=O)N(C)Cc3cn(C)nc3C)CC2)n1
InChIInChI=1S/C19H29N7O/c1-14-16(13-25(4)23-14)12-24(3)18(27)11-15-6-9-26(10-7-15)17-5-8-21-19(20-2)22-17/h5,8,13,15H,6-7,9-12H2,1-4H3,(H,20,21,22)
InChIKeyHEZYYSIKWPMCQA-UHFFFAOYSA-N
XLogP1.83
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 87054148) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is CNc1nccc(N2CCC(CC(=O)N(C)Cc3cn(C)nc3C)CC2)n1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is HEZYYSIKWPMCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-14-16(13-25(4)23-14)12-24(3)18(27)11-15-6-9-26(10-7-15)17-5-8-21-19(20-2)22-17/h5,8,13,15H,6-7,9-12H2,1-4H3,(H,20,21,22).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 371.49 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 87054148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).