1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C21H28N6O — CID 53201088

IUPAC1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(c2cncnc2N2CCCCC2)CC1
InChIInChI=1S/C21H28N6O/c28-21(24-14-18-6-2-3-9-23-18)17-7-12-26(13-8-17)19-15-22-16-25-20(19)27-10-4-1-5-11-27/h2-3,6,9,15-17H,1,4-5,7-8,10-14H2,(H,24,28)
InChIKeyMSLCJQAMRNSDFO-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.39
Rot. Bonds5

About 1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53201088) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53201088
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(c2cncnc2N2CCCCC2)CC1
InChIInChI=1S/C21H28N6O/c28-21(24-14-18-6-2-3-9-23-18)17-7-12-26(13-8-17)19-15-22-16-25-20(19)27-10-4-1-5-11-27/h2-3,6,9,15-17H,1,4-5,7-8,10-14H2,(H,24,28)
InChIKeyMSLCJQAMRNSDFO-UHFFFAOYSA-N
XLogP2.39
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 53201088) is 1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(c2cncnc2N2CCCCC2)CC1.
What is the InChIKey of 1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MSLCJQAMRNSDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c28-21(24-14-18-6-2-3-9-23-18)17-7-12-26(13-8-17)19-15-22-16-25-20(19)27-10-4-1-5-11-27/h2-3,6,9,15-17H,1,4-5,7-8,10-14H2,(H,24,28).
What are the key properties of 1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53201088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).