N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide

C17H18N8O — CID 90544740

IUPACN-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(-n2cccn2)nn1
InChIInChI=1S/C17H18N8O/c26-17(13-5-6-15(23-22-13)25-10-4-7-20-25)21-14-11-16(19-12-18-14)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2,(H,18,19,21,26)
InChIKeyJFTIPRLUKVDFBT-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.69
Rot. Bonds4

About N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide

N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide (PubChem CID 90544740) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide
PubChem CID90544740
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC NameN-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(-n2cccn2)nn1
InChIInChI=1S/C17H18N8O/c26-17(13-5-6-15(23-22-13)25-10-4-7-20-25)21-14-11-16(19-12-18-14)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2,(H,18,19,21,26)
InChIKeyJFTIPRLUKVDFBT-UHFFFAOYSA-N
XLogP1.69
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
5-(furan-2-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1,2-oxazole-3-carboxamide
CID 90544944
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide
CID 71794873
2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544473
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90544954
N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide
CID 90544570
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544631
1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90544737
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433

Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide (CID 90544740) is N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide is O=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(-n2cccn2)nn1.
What is the InChIKey of N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide?
The InChIKey is JFTIPRLUKVDFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c26-17(13-5-6-15(23-22-13)25-10-4-7-20-25)21-14-11-16(19-12-18-14)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2,(H,18,19,21,26).
What are the key properties of N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide?
N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 90544740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).