1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C22H22FN5O2 — CID 56574228

IUPAC1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(c2nccc(Oc3ccc(F)cc3)n2)C1
InChIInChI=1S/C22H22FN5O2/c1-15-4-2-11-24-20(15)27-21(29)16-5-3-13-28(14-16)22-25-12-10-19(26-22)30-18-8-6-17(23)7-9-18/h2,4,6-12,16H,3,5,13-14H2,1H3,(H,24,27,29)
InChIKeyQDOYJZHCDMSKGR-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.97
Rot. Bonds5

About 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 56574228) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID56574228
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(c2nccc(Oc3ccc(F)cc3)n2)C1
InChIInChI=1S/C22H22FN5O2/c1-15-4-2-11-24-20(15)27-21(29)16-5-3-13-28(14-16)22-25-12-10-19(26-22)30-18-8-6-17(23)7-9-18/h2,4,6-12,16H,3,5,13-14H2,1H3,(H,24,27,29)
InChIKeyQDOYJZHCDMSKGR-UHFFFAOYSA-N
XLogP3.97
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 56574344
N-(3-methyl-2-pyridinyl)-1-pyrido[2,3-b]pyrazin-6-ylpiperidine-3-carboxamide
CID 51101967
N-(3-methyl-2-pyridinyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514416
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-4-methylazepane
CID 56574045
N-(4-fluoro-2-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47024487
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 121070631
4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
CID 97314093
(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897328

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 56574228) is 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(c2nccc(Oc3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is QDOYJZHCDMSKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-15-4-2-11-24-20(15)27-21(29)16-5-3-13-28(14-16)22-25-12-10-19(26-22)30-18-8-6-17(23)7-9-18/h2,4,6-12,16H,3,5,13-14H2,1H3,(H,24,27,29).
What are the key properties of 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 56574228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).