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

C23H33N5O3 — CID 10788615

IUPAC2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(OC)c1
InChIInChI=1S/C23H33N5O3/c1-26(2)23(29)19-7-5-10-24-22(19)25-11-6-12-27-13-15-28(16-14-27)20-9-8-18(30-3)17-21(20)31-4/h5,7-10,17H,6,11-16H2,1-4H3,(H,24,25)
InChIKeyIPRRGOQYCLEODJ-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.42
Rot. Bonds9

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

2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 10788615) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID10788615
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(OC)c1
InChIInChI=1S/C23H33N5O3/c1-26(2)23(29)19-7-5-10-24-22(19)25-11-6-12-27-13-15-28(16-14-27)20-9-8-18(30-3)17-21(20)31-4/h5,7-10,17H,6,11-16H2,1-4H3,(H,24,25)
InChIKeyIPRRGOQYCLEODJ-UHFFFAOYSA-N
XLogP2.42
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide (CID 10788615) is 2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide is COc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(OC)c1.
What is the InChIKey of 2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is IPRRGOQYCLEODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-26(2)23(29)19-7-5-10-24-22(19)25-11-6-12-27-13-15-28(16-14-27)20-9-8-18(30-3)17-21(20)31-4/h5,7-10,17H,6,11-16H2,1-4H3,(H,24,25).
What are the key properties of 2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 10788615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).