N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide

C13H16N6O3 — CID 166191278

IUPACN-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NCc1noc(=O)[nH]1)c1ccnc(N2CCCCC2)n1
InChIInChI=1S/C13H16N6O3/c20-11(15-8-10-17-13(21)22-18-10)9-4-5-14-12(16-9)19-6-2-1-3-7-19/h4-5H,1-3,6-8H2,(H,15,20)(H,17,18,21)
InChIKeyGQQYVXSDHVVXSG-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.07
Rot. Bonds4

About N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide

N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 166191278) has the molecular formula C13H16N6O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID166191278
Molecular FormulaC13H16N6O3
Molecular Weight304.31 g/mol
Exact Mass304.13
IUPAC NameN-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NCc1noc(=O)[nH]1)c1ccnc(N2CCCCC2)n1
InChIInChI=1S/C13H16N6O3/c20-11(15-8-10-17-13(21)22-18-10)9-4-5-14-12(16-9)19-6-2-1-3-7-19/h4-5H,1-3,6-8H2,(H,15,20)(H,17,18,21)
InChIKeyGQQYVXSDHVVXSG-UHFFFAOYSA-N
XLogP0.07
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305661
2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801
4-[[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]methyl]benzoic acid
CID 119353448
N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298248
N-(1,3-benzodioxol-5-ylmethyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298249
5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122352001
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297501
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297498
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
2-(azepan-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109313205
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 138994491
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide (CID 166191278) is N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide is O=C(NCc1noc(=O)[nH]1)c1ccnc(N2CCCCC2)n1.
What is the InChIKey of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is GQQYVXSDHVVXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3/c20-11(15-8-10-17-13(21)22-18-10)9-4-5-14-12(16-9)19-6-2-1-3-7-19/h4-5H,1-3,6-8H2,(H,15,20)(H,17,18,21).
What are the key properties of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 166191278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).