N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C27H26N6O — CID 90520131

IUPACN-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nccn1-c1cc(N2CCC(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)ncn1
InChIInChI=1S/C27H26N6O/c1-18-28-10-13-33(18)26-16-25(29-17-30-26)32-11-8-19(9-12-32)27(34)31-22-6-7-24-21(15-22)14-20-4-2-3-5-23(20)24/h2-7,10,13,15-17,19H,8-9,11-12,14H2,1H3,(H,31,34)
InChIKeyLMRCYAFJLAAZQK-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.40
Rot. Bonds4

About N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 90520131) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID90520131
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC NameN-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nccn1-c1cc(N2CCC(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)ncn1
InChIInChI=1S/C27H26N6O/c1-18-28-10-13-33(18)26-16-25(29-17-30-26)32-11-8-19(9-12-32)27(34)31-22-6-7-24-21(15-22)14-20-4-2-3-5-23(20)24/h2-7,10,13,15-17,19H,8-9,11-12,14H2,1H3,(H,31,34)
InChIKeyLMRCYAFJLAAZQK-UHFFFAOYSA-N
XLogP4.40
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520063
methyl 4-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90520001
N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519982
N-(2-ethylphenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520046
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(9H-fluoren-2-yl)piperidine-4-carboxamide
CID 90514340
N-(2,4-dichlorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520083
N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519984
N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519855
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170437
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520151
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122291838
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520133

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 90520131) is N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1nccn1-c1cc(N2CCC(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)ncn1.
What is the InChIKey of N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is LMRCYAFJLAAZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-18-28-10-13-33(18)26-16-25(29-17-30-26)32-11-8-19(9-12-32)27(34)31-22-6-7-24-21(15-22)14-20-4-2-3-5-23(20)24/h2-7,10,13,15-17,19H,8-9,11-12,14H2,1H3,(H,31,34).
What are the key properties of N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 450.55 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90520131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).