4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide

C21H28N6O2 — CID 133444237

IUPAC4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESCC1CCCN(c2cc(N3CCC(Oc4ccnc(C(N)=O)c4)CC3)ncn2)C1
InChIInChI=1S/C21H28N6O2/c1-15-3-2-8-27(13-15)20-12-19(24-14-25-20)26-9-5-16(6-10-26)29-17-4-7-23-18(11-17)21(22)28/h4,7,11-12,14-16H,2-3,5-6,8-10,13H2,1H3,(H2,22,28)
InChIKeyDTVCNNPHPLRJCI-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.25
Rot. Bonds5

About 4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide

4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide (PubChem CID 133444237) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
PubChem CID133444237
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESCC1CCCN(c2cc(N3CCC(Oc4ccnc(C(N)=O)c4)CC3)ncn2)C1
InChIInChI=1S/C21H28N6O2/c1-15-3-2-8-27(13-15)20-12-19(24-14-25-20)26-9-5-16(6-10-26)29-17-4-7-23-18(11-17)21(22)28/h4,7,11-12,14-16H,2-3,5-6,8-10,13H2,1H3,(H2,22,28)
InChIKeyDTVCNNPHPLRJCI-UHFFFAOYSA-N
XLogP2.25
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 75509918
1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422017
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133462336
4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602502
4-[1-(5-methylquinazolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444187
4-[[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602822
4-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444254
4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444242
4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444215
[1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297387
4-(1-butanoylpiperidin-3-yl)oxypyridine-2-carboxamide
CID 122256660
4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256686

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide (CID 133444237) is 4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide is CC1CCCN(c2cc(N3CCC(Oc4ccnc(C(N)=O)c4)CC3)ncn2)C1.
What is the InChIKey of 4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide?
The InChIKey is DTVCNNPHPLRJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-15-3-2-8-27(13-15)20-12-19(24-14-25-20)26-9-5-16(6-10-26)29-17-4-7-23-18(11-17)21(22)28/h4,7,11-12,14-16H,2-3,5-6,8-10,13H2,1H3,(H2,22,28).
What are the key properties of 4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide?
4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 133444237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).