N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C12H17N5O2 — CID 3223373

IUPACN-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)CNC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C12H17N5O2/c13-10(18)7-16-11(19)9-3-1-6-17(8-9)12-14-4-2-5-15-12/h2,4-5,9H,1,3,6-8H2,(H2,13,18)(H,16,19)
InChIKeyMMDFYUFBGGJEOG-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.71
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 3223373) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID3223373
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)CNC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C12H17N5O2/c13-10(18)7-16-11(19)9-3-1-6-17(8-9)12-14-4-2-5-15-12/h2,4-5,9H,1,3,6-8H2,(H2,13,18)(H,16,19)
InChIKeyMMDFYUFBGGJEOG-UHFFFAOYSA-N
XLogP-0.71
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 3223373) is N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is NC(=O)CNC(=O)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is MMDFYUFBGGJEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-10(18)7-16-11(19)9-3-1-6-17(8-9)12-14-4-2-5-15-12/h2,4-5,9H,1,3,6-8H2,(H2,13,18)(H,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3223373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).