4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide

C22H31N5O2 — CID 10524875

IUPAC4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1
InChIInChI=1S/C22H31N5O2/c1-25(2)22(28)18-17-23-11-9-19(18)24-10-6-12-26-13-15-27(16-14-26)20-7-4-5-8-21(20)29-3/h4-5,7-9,11,17H,6,10,12-16H2,1-3H3,(H,23,24)
InChIKeyQOMKHUXPIGUJJZ-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.42
Rot. Bonds8

About 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide

4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 10524875) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID10524875
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1
InChIInChI=1S/C22H31N5O2/c1-25(2)22(28)18-17-23-11-9-19(18)24-10-6-12-26-13-15-27(16-14-26)20-7-4-5-8-21(20)29-3/h4-5,7-9,11,17H,6,10,12-16H2,1-3H3,(H,23,24)
InChIKeyQOMKHUXPIGUJJZ-UHFFFAOYSA-N
XLogP2.42
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide (CID 10524875) is 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide is COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1.
What is the InChIKey of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is QOMKHUXPIGUJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-25(2)22(28)18-17-23-11-9-19(18)24-10-6-12-26-13-15-27(16-14-26)20-7-4-5-8-21(20)29-3/h4-5,7-9,11,17H,6,10,12-16H2,1-3H3,(H,23,24).
What are the key properties of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 10524875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).