N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

C30H32N8O — CID 90545442

IUPACN-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)C1CCCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C30H32N8O/c39-30(24-10-7-15-38(21-24)28-14-13-26(34-35-28)23-8-3-1-4-9-23)33-27-20-29(32-22-31-27)37-18-16-36(17-19-37)25-11-5-2-6-12-25/h1-6,8-9,11-14,20,22,24H,7,10,15-19,21H2,(H,31,32,33,39)
InChIKeyPQUKUMAZUVEGJA-UHFFFAOYSA-N
MW520.64 g/mol
LogP4.12
Rot. Bonds6

About N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 90545442) has the molecular formula C30H32N8O and a molecular weight of 520.64 g/mol. Its IUPAC name is N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID90545442
Molecular FormulaC30H32N8O
Molecular Weight520.64 g/mol
Exact Mass520.27
IUPAC NameN-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)C1CCCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C30H32N8O/c39-30(24-10-7-15-38(21-24)28-14-13-26(34-35-28)23-8-3-1-4-9-23)33-27-20-29(32-22-31-27)37-18-16-36(17-19-37)25-11-5-2-6-12-25/h1-6,8-9,11-14,20,22,24H,7,10,15-19,21H2,(H,31,32,33,39)
InChIKeyPQUKUMAZUVEGJA-UHFFFAOYSA-N
XLogP4.12
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.64
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90545446
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128
N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519369
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90544006
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519264
(3R)-N-(4-nitrophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866078
(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351026

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (CID 90545442) is N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)C1CCCN(c2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is PQUKUMAZUVEGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O/c39-30(24-10-7-15-38(21-24)28-14-13-26(34-35-28)23-8-3-1-4-9-23)33-27-20-29(32-22-31-27)37-18-16-36(17-19-37)25-11-5-2-6-12-25/h1-6,8-9,11-14,20,22,24H,7,10,15-19,21H2,(H,31,32,33,39).
What are the key properties of N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 520.64 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90545442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).