4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide

C25H38N8O2 — CID 142825151

IUPAC4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCCCCc1ccc(N2CCN(N(C)OC3(C(N)=O)CCN(c4ncccn4)CC3)CC2)nc1
InChIInChI=1S/C25H38N8O2/c1-3-4-5-7-21-8-9-22(29-20-21)31-16-18-33(19-17-31)30(2)35-25(23(26)34)10-14-32(15-11-25)24-27-12-6-13-28-24/h6,8-9,12-13,20H,3-5,7,10-11,14-19H2,1-2H3,(H2,26,34)
InChIKeyGXYVRFQFNJWKCH-UHFFFAOYSA-N
MW482.63 g/mol
LogP2.03
Rot. Bonds10

About 4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide

4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 142825151) has the molecular formula C25H38N8O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID142825151
Molecular FormulaC25H38N8O2
Molecular Weight482.63 g/mol
Exact Mass482.31
IUPAC Name4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCCCCc1ccc(N2CCN(N(C)OC3(C(N)=O)CCN(c4ncccn4)CC3)CC2)nc1
InChIInChI=1S/C25H38N8O2/c1-3-4-5-7-21-8-9-22(29-20-21)31-16-18-33(19-17-31)30(2)35-25(23(26)34)10-14-32(15-11-25)24-27-12-6-13-28-24/h6,8-9,12-13,20H,3-5,7,10-11,14-19H2,1-2H3,(H2,26,34)
InChIKeyGXYVRFQFNJWKCH-UHFFFAOYSA-N
XLogP2.03
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]sulfonyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 21069061
N,N-dipropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124196
ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043939
N-butyl-N-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978982
2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 59676617
ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882
(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17217519
4-methyl-1-[5-(propylaminomethyl)-2-pyridinyl]azepan-4-ol
CID 107405494
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 30832005
2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113014545
4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide
CID 107355691
tert-butyl 4-[5-(4-azidobutyl)-2-pyridinyl]piperazine-1-carboxylate
CID 167439824

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 142825151) is 4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide is CCCCCc1ccc(N2CCN(N(C)OC3(C(N)=O)CCN(c4ncccn4)CC3)CC2)nc1.
What is the InChIKey of 4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is GXYVRFQFNJWKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N8O2/c1-3-4-5-7-21-8-9-22(29-20-21)31-16-18-33(19-17-31)30(2)35-25(23(26)34)10-14-32(15-11-25)24-27-12-6-13-28-24/h6,8-9,12-13,20H,3-5,7,10-11,14-19H2,1-2H3,(H2,26,34).
What are the key properties of 4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide?
4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]amino]oxy-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 142825151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).