1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide

C21H25N7O — CID 90520908

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccnc(NC(=O)C2CCCN(c3cc(-n4nc(C)cc4C)ncn3)C2)c1
InChIInChI=1S/C21H25N7O/c1-14-6-7-22-18(9-14)25-21(29)17-5-4-8-27(12-17)19-11-20(24-13-23-19)28-16(3)10-15(2)26-28/h6-7,9-11,13,17H,4-5,8,12H2,1-3H3,(H,22,25,29)
InChIKeyVWDDPEJXAYRTAE-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.84
Rot. Bonds4

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 90520908) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID90520908
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccnc(NC(=O)C2CCCN(c3cc(-n4nc(C)cc4C)ncn3)C2)c1
InChIInChI=1S/C21H25N7O/c1-14-6-7-22-18(9-14)25-21(29)17-5-4-8-27(12-17)19-11-20(24-13-23-19)28-16(3)10-15(2)26-28/h6-7,9-11,13,17H,4-5,8,12H2,1-3H3,(H,22,25,29)
InChIKeyVWDDPEJXAYRTAE-UHFFFAOYSA-N
XLogP2.84
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90544363
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 90520791
N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90520777
N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519369
methyl 4-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carbonyl]amino]benzoate
CID 90520758
(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95369349
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 90520746
2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90520886
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 90514681
(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95367750
(3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 95369354
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
CID 90520957

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 90520908) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccnc(NC(=O)C2CCCN(c3cc(-n4nc(C)cc4C)ncn3)C2)c1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is VWDDPEJXAYRTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-14-6-7-22-18(9-14)25-21(29)17-5-4-8-27(12-17)19-11-20(24-13-23-19)28-16(3)10-15(2)26-28/h6-7,9-11,13,17H,4-5,8,12H2,1-3H3,(H,22,25,29).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 90520908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).