N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide

C15H22N4O3 — CID 109103395

IUPACN-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H22N4O3/c1-18-4-6-19(7-5-18)15(21)13-9-12(10-16-11-13)14(20)17-3-8-22-2/h9-11H,3-8H2,1-2H3,(H,17,20)
InChIKeyNXKKLTLQVRKJNE-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.15
Rot. Bonds5

About N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide

N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109103395) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109103395
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H22N4O3/c1-18-4-6-19(7-5-18)15(21)13-9-12(10-16-11-13)14(20)17-3-8-22-2/h9-11H,3-8H2,1-2H3,(H,17,20)
InChIKeyNXKKLTLQVRKJNE-UHFFFAOYSA-N
XLogP-0.15
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103444
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109103429
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109103448
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104421
N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103614
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104407
N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104440
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109104414
5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide
CID 109101150
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104428
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109103395) is N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide is COCCNC(=O)c1cncc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is NXKKLTLQVRKJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-18-4-6-19(7-5-18)15(21)13-9-12(10-16-11-13)14(20)17-3-8-22-2/h9-11H,3-8H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109103395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).