N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide

C16H23N5O2 — CID 122356657

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C16H23N5O2/c1-10-14(20-15(23)12-5-6-13(22)17-9-12)11(2)19-16(18-10)21-7-3-4-8-21/h12H,3-9H2,1-2H3,(H,17,22)(H,20,23)
InChIKeyHUVYEUAVOONHCI-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.16
Rot. Bonds3

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 122356657) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide
PubChem CID122356657
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C16H23N5O2/c1-10-14(20-15(23)12-5-6-13(22)17-9-12)11(2)19-16(18-10)21-7-3-4-8-21/h12H,3-9H2,1-2H3,(H,17,22)(H,20,23)
InChIKeyHUVYEUAVOONHCI-UHFFFAOYSA-N
XLogP1.16
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide (CID 122356657) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide is Cc1nc(N2CCCC2)nc(C)c1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is HUVYEUAVOONHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-14(20-15(23)12-5-6-13(22)17-9-12)11(2)19-16(18-10)21-7-3-4-8-21/h12H,3-9H2,1-2H3,(H,17,22)(H,20,23).
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 122356657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).