1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C18H23N5O3 — CID 53107409

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCc3cccnc3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H23N5O3/c1-21-15(9-16(24)22(2)18(21)26)23-8-4-6-14(12-23)17(25)20-11-13-5-3-7-19-10-13/h3,5,7,9-10,14H,4,6,8,11-12H2,1-2H3,(H,20,25)
InChIKeyGMRMJSMFJARHOT-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.01
Rot. Bonds4

About 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 53107409) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID53107409
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCc3cccnc3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H23N5O3/c1-21-15(9-16(24)22(2)18(21)26)23-8-4-6-14(12-23)17(25)20-11-13-5-3-7-19-10-13/h3,5,7,9-10,14H,4,6,8,11-12H2,1-2H3,(H,20,25)
InChIKeyGMRMJSMFJARHOT-UHFFFAOYSA-N
XLogP0.01
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 53107409) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is Cn1c(N2CCCC(C(=O)NCc3cccnc3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is GMRMJSMFJARHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-21-15(9-16(24)22(2)18(21)26)23-8-4-6-14(12-23)17(25)20-11-13-5-3-7-19-10-13/h3,5,7,9-10,14H,4,6,8,11-12H2,1-2H3,(H,20,25).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53107409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).