1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C18H23N5O2 — CID 78852400

IUPAC1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)N(C)Cc3cccnc3)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-22(13-14-4-3-8-19-12-14)17(24)15-6-10-23(11-7-15)18-20-9-5-16(21-18)25-2/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3
InChIKeyISMOHVBBSCPPCM-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.76
Rot. Bonds5

About 1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 78852400) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID78852400
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)N(C)Cc3cccnc3)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-22(13-14-4-3-8-19-12-14)17(24)15-6-10-23(11-7-15)18-20-9-5-16(21-18)25-2/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3
InChIKeyISMOHVBBSCPPCM-UHFFFAOYSA-N
XLogP1.76
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 78852400) is 1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is COc1ccnc(N2CCC(C(=O)N(C)Cc3cccnc3)CC2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ISMOHVBBSCPPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(13-14-4-3-8-19-12-14)17(24)15-6-10-23(11-7-15)18-20-9-5-16(21-18)25-2/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3.
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 78852400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).