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

C16H23N7O — CID 171993681

IUPACN-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCN(C)c1ccnc(N2CCC(NC(=O)c3ccn(C)n3)CC2)n1
InChIInChI=1S/C16H23N7O/c1-21(2)14-4-8-17-16(19-14)23-10-5-12(6-11-23)18-15(24)13-7-9-22(3)20-13/h4,7-9,12H,5-6,10-11H2,1-3H3,(H,18,24)
InChIKeyVCYYHBKUIIJENI-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.67
Rot. Bonds4

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

N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171993681) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171993681
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCN(C)c1ccnc(N2CCC(NC(=O)c3ccn(C)n3)CC2)n1
InChIInChI=1S/C16H23N7O/c1-21(2)14-4-8-17-16(19-14)23-10-5-12(6-11-23)18-15(24)13-7-9-22(3)20-13/h4,7-9,12H,5-6,10-11H2,1-3H3,(H,18,24)
InChIKeyVCYYHBKUIIJENI-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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Related Compounds

N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171994191
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993467
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163350937
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993726
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993643
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993626
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357851
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993462
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171994017
2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899580

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 171993681) is N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide is CN(C)c1ccnc(N2CCC(NC(=O)c3ccn(C)n3)CC2)n1.
What is the InChIKey of N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is VCYYHBKUIIJENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-21(2)14-4-8-17-16(19-14)23-10-5-12(6-11-23)18-15(24)13-7-9-22(3)20-13/h4,7-9,12H,5-6,10-11H2,1-3H3,(H,18,24).
What are the key properties of N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-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-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171993681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).