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

C22H30FN5O2 — CID 10621790

IUPAC2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C22H30FN5O2/c1-26(2)22(29)18-6-4-9-24-21(18)25-10-5-11-27-12-14-28(15-13-27)19-8-7-17(23)16-20(19)30-3/h4,6-9,16H,5,10-15H2,1-3H3,(H,24,25)
InChIKeyONPBIKNDHFIIGZ-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.56
Rot. Bonds8

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

2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 10621790) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID10621790
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC Name2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C22H30FN5O2/c1-26(2)22(29)18-6-4-9-24-21(18)25-10-5-11-27-12-14-28(15-13-27)19-8-7-17(23)16-20(19)30-3/h4,6-9,16H,5,10-15H2,1-3H3,(H,24,25)
InChIKeyONPBIKNDHFIIGZ-UHFFFAOYSA-N
XLogP2.56
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.56
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

Vs-4718
CID 25073775
Bms-986202
CID 155981972
4-iodo-N-(2-(4-(methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 4658
Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
Fcway
CID 10048892
p-(18F)MPPF
CID 5352127
Mefway F-18
CID 11963740
Gne-7915
CID 58539171
N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CID 16040289
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
1-Methyl-5-(2-{[5-(4-Methylpiperazin-1-Yl)-2-(Trifluoromethoxy)phenyl]amino}pyrimidin-4-Yl)-1h-Pyrrole-3-Carboxamide
CID 54759168

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide (CID 10621790) is 2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide is COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1.
What is the InChIKey of 2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is ONPBIKNDHFIIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O2/c1-26(2)22(29)18-6-4-9-24-21(18)25-10-5-11-27-12-14-28(15-13-27)19-8-7-17(23)16-20(19)30-3/h4,6-9,16H,5,10-15H2,1-3H3,(H,24,25).
What are the key properties of 2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 10621790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).