N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide

C22H28N4O3 — CID 109082685

IUPACN-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ccn1
InChIInChI=1S/C22H28N4O3/c1-17-5-3-6-19(15-17)25-10-12-26(13-11-25)22(28)18-7-9-23-20(16-18)21(27)24-8-4-14-29-2/h3,5-7,9,15-16H,4,8,10-14H2,1-2H3,(H,24,27)
InChIKeyJSRKLYNHIWQDBN-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.12
Rot. Bonds7

About N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide

N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 109082685) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
PubChem CID109082685
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ccn1
InChIInChI=1S/C22H28N4O3/c1-17-5-3-6-19(15-17)25-10-12-26(13-11-25)22(28)18-7-9-23-20(16-18)21(27)24-8-4-14-29-2/h3,5-7,9,15-16H,4,8,10-14H2,1-2H3,(H,24,27)
InChIKeyJSRKLYNHIWQDBN-UHFFFAOYSA-N
XLogP2.12
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.12
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-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide
CID 109045294
[2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109167191
N-(3-methoxypropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109300202
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109078658
[2-(3-methoxypropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109300021
N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082639
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109324073
[5-(3-methoxypropylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109184425
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206099
N-(3-methoxypropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204551
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109088698
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109082360

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide (CID 109082685) is N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide is COCCCNC(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ccn1.
What is the InChIKey of N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is JSRKLYNHIWQDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-17-5-3-6-19(15-17)25-10-12-26(13-11-25)22(28)18-7-9-23-20(16-18)21(27)24-8-4-14-29-2/h3,5-7,9,15-16H,4,8,10-14H2,1-2H3,(H,24,27).
What are the key properties of N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 109082685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).