N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide

C20H30N6O — CID 172900726

IUPACN-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(CC1CCN(c2ccnc(C(C)(C)C)n2)CC1)C(=O)c1cnn(C)c1
InChIInChI=1S/C20H30N6O/c1-20(2,3)19-21-9-6-17(23-19)26-10-7-15(8-11-26)13-24(4)18(27)16-12-22-25(5)14-16/h6,9,12,14-15H,7-8,10-11,13H2,1-5H3
InChIKeyXXZRTGHBQMWVJF-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.50
Rot. Bonds4

About N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide

N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 172900726) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID172900726
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(CC1CCN(c2ccnc(C(C)(C)C)n2)CC1)C(=O)c1cnn(C)c1
InChIInChI=1S/C20H30N6O/c1-20(2,3)19-21-9-6-17(23-19)26-10-7-15(8-11-26)13-24(4)18(27)16-12-22-25(5)14-16/h6,9,12,14-15H,7-8,10-11,13H2,1-5H3
InChIKeyXXZRTGHBQMWVJF-UHFFFAOYSA-N
XLogP2.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide with MolForge

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Related Compounds

1-Cyclopentyl-6-{(1r)-1-[3-(Pyrimidin-2-Yl)azetidin-1-Yl]ethyl}-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566744
1-cyclopentyl-6-[(1R)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873900
[4-(hydroxymethyl)-2-(2-pyrimidinyl)-2,8-diazaspiro[4.5]dec-8-yl](1-methyl-1H-pyrazol-4-yl)methanone
CID 91921963
1-cyclopentyl-6-[1-(3-pyrimidin-2-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137314441
US11344549, Example 11
CID 138495211
US11344549, Example 12
CID 138495212
2-(4-{1-[3-(1H-pyrazol-1-yl)propanoyl]-3-pyrrolidinyl}-1-piperidinyl)pyrimidine
CID 45206678
(1-Tert-butylpyrazol-4-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53551597
N-ethyl-N-({3-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)ethanamine
CID 56715338
(1-Methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 95824598
1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide
CID 95829336
[3-[(2-Methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258822

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide (CID 172900726) is N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide is CN(CC1CCN(c2ccnc(C(C)(C)C)n2)CC1)C(=O)c1cnn(C)c1.
What is the InChIKey of N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is XXZRTGHBQMWVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-20(2,3)19-21-9-6-17(23-19)26-10-7-15(8-11-26)13-24(4)18(27)16-12-22-25(5)14-16/h6,9,12,14-15H,7-8,10-11,13H2,1-5H3.
What are the key properties of N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 172900726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).