N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide

C16H23N7O — CID 53185781

IUPACN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCN(C)c1cc(N2CCCC(NC(=O)c3ccnn3C)C2)ncn1
InChIInChI=1S/C16H23N7O/c1-21(2)14-9-15(18-11-17-14)23-8-4-5-12(10-23)20-16(24)13-6-7-19-22(13)3/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,24)
InChIKeyWWMJZLJGDVABGT-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.67
Rot. Bonds4

About N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide

N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 53185781) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
PubChem CID53185781
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCN(C)c1cc(N2CCCC(NC(=O)c3ccnn3C)C2)ncn1
InChIInChI=1S/C16H23N7O/c1-21(2)14-9-15(18-11-17-14)23-8-4-5-12(10-23)20-16(24)13-6-7-19-22(13)3/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,24)
InChIKeyWWMJZLJGDVABGT-UHFFFAOYSA-N
XLogP0.67
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide (CID 53185781) is N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide is CN(C)c1cc(N2CCCC(NC(=O)c3ccnn3C)C2)ncn1.
What is the InChIKey of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is WWMJZLJGDVABGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-21(2)14-9-15(18-11-17-14)23-8-4-5-12(10-23)20-16(24)13-6-7-19-22(13)3/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,24).
What are the key properties of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 53185781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).