N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide

C21H26N6O2 — CID 55808596

IUPACN-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccn1)C1CCN(C(=O)C2CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C21H26N6O2/c28-19(25-18-6-1-2-9-22-18)16-7-13-26(14-8-16)20(29)17-5-3-12-27(15-17)21-23-10-4-11-24-21/h1-2,4,6,9-11,16-17H,3,5,7-8,12-15H2,(H,22,25,28)
InChIKeyNXTUEXIMUMATPR-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.97
Rot. Bonds4

About N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide

N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 55808596) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide
PubChem CID55808596
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccn1)C1CCN(C(=O)C2CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C21H26N6O2/c28-19(25-18-6-1-2-9-22-18)16-7-13-26(14-8-16)20(29)17-5-3-12-27(15-17)21-23-10-4-11-24-21/h1-2,4,6,9-11,16-17H,3,5,7-8,12-15H2,(H,22,25,28)
InChIKeyNXTUEXIMUMATPR-UHFFFAOYSA-N
XLogP1.97
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94616580
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
(3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 42952772
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149397
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 55576245
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide (CID 55808596) is N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccccn1)C1CCN(C(=O)C2CCCN(c3ncccn3)C2)CC1.
What is the InChIKey of N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is NXTUEXIMUMATPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c28-19(25-18-6-1-2-9-22-18)16-7-13-26(14-8-16)20(29)17-5-3-12-27(15-17)21-23-10-4-11-24-21/h1-2,4,6,9-11,16-17H,3,5,7-8,12-15H2,(H,22,25,28).
What are the key properties of N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide?
N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55808596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).