N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C17H21N9O — CID 90600503

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C17H21N9O/c27-17(20-4-1-14-8-18-9-21-14)13-2-5-25(6-3-13)15-7-16(23-11-22-15)26-12-19-10-24-26/h7-13H,1-6H2,(H,18,21)(H,20,27)
InChIKeyQDFXPCMUEGHPPR-UHFFFAOYSA-N
MW367.42 g/mol
LogP0.36
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 90600503) has the molecular formula C17H21N9O and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID90600503
Molecular FormulaC17H21N9O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C17H21N9O/c27-17(20-4-1-14-8-18-9-21-14)13-2-5-25(6-3-13)15-7-16(23-11-22-15)26-12-19-10-24-26/h7-13H,1-6H2,(H,18,21)(H,20,27)
InChIKeyQDFXPCMUEGHPPR-UHFFFAOYSA-N
XLogP0.36
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-pyridin-4-ylethyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600551
N-[2-(1H-indol-3-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810836
N-[2-(4-sulfamoylphenyl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600312
N-[(4-fluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600328
(4-methylpiperidin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600249
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600552
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90600379
N-[2-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600467
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90600518
(3S)-N-[2-(4-chlorophenyl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 97428720
(4-ethylpiperazin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600260
N-(2-chlorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600326

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 90600503) is N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(NCCc1cnc[nH]1)C1CCN(c2cc(-n3cncn3)ncn2)CC1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is QDFXPCMUEGHPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9O/c27-17(20-4-1-14-8-18-9-21-14)13-2-5-25(6-3-13)15-7-16(23-11-22-15)26-12-19-10-24-26/h7-13H,1-6H2,(H,18,21)(H,20,27).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90600503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).