N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide

C15H21N7O2 — CID 50951873

IUPACN-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNc2cc(C)nc(N3CCCCC3)n2)n1
InChIInChI=1S/C15H21N7O2/c1-10-8-11(19-15(18-10)22-6-4-3-5-7-22)17-9-12-20-13(21-24-12)14(23)16-2/h8H,3-7,9H2,1-2H3,(H,16,23)(H,17,18,19)
InChIKeyAMCBYTZMDRCMQX-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.13
Rot. Bonds5

About N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide

N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 50951873) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID50951873
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNc2cc(C)nc(N3CCCCC3)n2)n1
InChIInChI=1S/C15H21N7O2/c1-10-8-11(19-15(18-10)22-6-4-3-5-7-22)17-9-12-20-13(21-24-12)14(23)16-2/h8H,3-7,9H2,1-2H3,(H,16,23)(H,17,18,19)
InChIKeyAMCBYTZMDRCMQX-UHFFFAOYSA-N
XLogP1.13
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-Cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 36649679
N-{[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-YL]methyl}-N,4,6-trimethylpyrimidin-2-amine
CID 50983426
N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50984532
N,N,6-trimethyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine
CID 53573843
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine
CID 75379595
5-[1-[4-(4-Ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 75455387
2-acetamido-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 91631455
4-methyl-N-(2-((2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)ethyl)pyrimidine-2-carboxamide
CID 52417011
3-tert-butyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37255919
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 45808709
4-Ethyl-N,N-dimethyl-6-(4-{methyl[(5-methyl-1,2,4-oxadiazol-3-YL)methyl]amino}piperidin-1-YL)pyrimidin-2-amine
CID 72839381
N-Methyl-5-{[(2,5,6-trimethylpyrimidin-4-YL)amino]methyl}-1,2,4-oxadiazole-3-carboxamide
CID 72881712

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 50951873) is N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CNc2cc(C)nc(N3CCCCC3)n2)n1.
What is the InChIKey of N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is AMCBYTZMDRCMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-10-8-11(19-15(18-10)22-6-4-3-5-7-22)17-9-12-20-13(21-24-12)14(23)16-2/h8H,3-7,9H2,1-2H3,(H,16,23)(H,17,18,19).
What are the key properties of N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 50951873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).