2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride

C23H34ClN5O2 — CID 21473475

IUPAC2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCN(C)c2ncccc2C(=O)N(C)C)CC1.Cl
InChIInChI=1S/C23H33N5O2.ClH/c1-25(2)23(29)19-9-7-12-24-22(19)26(3)13-8-14-27-15-17-28(18-16-27)20-10-5-6-11-21(20)30-4;/h5-7,9-12H,8,13-18H2,1-4H3;1H
InChIKeyYFEKLWXSTLRZAN-UHFFFAOYSA-N
MW448.01 g/mol
LogP2.86
Rot. Bonds8

About 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride (PubChem CID 21473475) has the molecular formula C23H34ClN5O2 and a molecular weight of 448.01 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
PubChem CID21473475
Molecular FormulaC23H34ClN5O2
Molecular Weight448.01 g/mol
Exact Mass447.24
IUPAC Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCN(C)c2ncccc2C(=O)N(C)C)CC1.Cl
InChIInChI=1S/C23H33N5O2.ClH/c1-25(2)23(29)19-9-7-12-24-22(19)26(3)13-8-14-27-15-17-28(18-16-27)20-10-5-6-11-21(20)30-4;/h5-7,9-12H,8,13-18H2,1-4H3;1H
InChIKeyYFEKLWXSTLRZAN-UHFFFAOYSA-N
XLogP2.86
TPSA52.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.01
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-N,N-dimethylbenzamide
CID 22458090
N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride
CID 21473401
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide
CID 78387585
6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473425
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
CID 10342321
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
CID 22371024
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide
CID 67704305
3-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-1,1-dimethylurea
CID 44538852
2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11027407
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea
CID 69452906

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride (CID 21473475) is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride is COc1ccccc1N1CCN(CCCN(C)c2ncccc2C(=O)N(C)C)CC1.Cl.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
The InChIKey is YFEKLWXSTLRZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2.ClH/c1-25(2)23(29)19-9-7-12-24-22(19)26(3)13-8-14-27-15-17-28(18-16-27)20-10-5-6-11-21(20)30-4;/h5-7,9-12H,8,13-18H2,1-4H3;1H.
What are the key properties of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride has a molecular weight of 448.01 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 21473475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).