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

C20H23N7O — CID 90600377

IUPACN-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1)c1ccccc1
InChIInChI=1S/C20H23N7O/c1-2-26(17-6-4-3-5-7-17)20(28)16-8-10-25(11-9-16)18-12-19(23-14-22-18)27-15-21-13-24-27/h3-7,12-16H,2,8-11H2,1H3
InChIKeyURVONACGNDNFQW-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.33
Rot. Bonds5

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

N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 90600377) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID90600377
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1)c1ccccc1
InChIInChI=1S/C20H23N7O/c1-2-26(17-6-4-3-5-7-17)20(28)16-8-10-25(11-9-16)18-12-19(23-14-22-18)27-15-21-13-24-27/h3-7,12-16H,2,8-11H2,1H3
InChIKeyURVONACGNDNFQW-UHFFFAOYSA-N
XLogP2.33
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600370
N-benzyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601414
N-(2-ethylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600331
(4-phenylpiperazin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600264
(4-benzylpiperidin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600251
(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
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90600379
(4-methylpiperidin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600249
N-[4-(diethylamino)-2-methylphenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600388
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600269
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600565

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 90600377) is N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is CCN(C(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is URVONACGNDNFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-2-26(17-6-4-3-5-7-17)20(28)16-8-10-25(11-9-16)18-12-19(23-14-22-18)27-15-21-13-24-27/h3-7,12-16H,2,8-11H2,1H3.
What are the key properties of N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90600377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).