N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide

C24H36N6O — CID 56585139

IUPACN-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2nc(-c3ccccn3)nc(C)c2C)CC1
InChIInChI=1S/C24H36N6O/c1-5-29(6-2)15-9-14-26-24(31)20-11-16-30(17-12-20)23-18(3)19(4)27-22(28-23)21-10-7-8-13-25-21/h7-8,10,13,20H,5-6,9,11-12,14-17H2,1-4H3,(H,26,31)
InChIKeyTXSAPTRBNMXRCO-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.22
Rot. Bonds9

About N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide

N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 56585139) has the molecular formula C24H36N6O and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID56585139
Molecular FormulaC24H36N6O
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC NameN-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2nc(-c3ccccn3)nc(C)c2C)CC1
InChIInChI=1S/C24H36N6O/c1-5-29(6-2)15-9-14-26-24(31)20-11-16-30(17-12-20)23-18(3)19(4)27-22(28-23)21-10-7-8-13-25-21/h7-8,10,13,20H,5-6,9,11-12,14-17H2,1-4H3,(H,26,31)
InChIKeyTXSAPTRBNMXRCO-UHFFFAOYSA-N
XLogP3.22
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341479
N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46282532
N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112520153
1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133421994
1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
CID 51328372
N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20883034
N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952029
N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062200
N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882877
N-[3-(diethylamino)propyl]-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943229
1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356454
N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 53025177

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 56585139) is N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide is CCN(CC)CCCNC(=O)C1CCN(c2nc(-c3ccccn3)nc(C)c2C)CC1.
What is the InChIKey of N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is TXSAPTRBNMXRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O/c1-5-29(6-2)15-9-14-26-24(31)20-11-16-30(17-12-20)23-18(3)19(4)27-22(28-23)21-10-7-8-13-25-21/h7-8,10,13,20H,5-6,9,11-12,14-17H2,1-4H3,(H,26,31).
What are the key properties of N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56585139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).