2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride

C22H32ClN5O3 — CID 67704456

IUPAC2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
SMILESCCCNc1ccnc(N2CCN(c3ccc(O)cc3OC)CC2)c1C(=O)N(C)C.Cl
InChIInChI=1S/C22H31N5O3.ClH/c1-5-9-23-17-8-10-24-21(20(17)22(29)25(2)3)27-13-11-26(12-14-27)18-7-6-16(28)15-19(18)30-4;/h6-8,10,15,28H,5,9,11-14H2,1-4H3,(H,23,24);1H
InChIKeyNGAITMFMAZWXOO-UHFFFAOYSA-N
MW449.98 g/mol
LogP3.07
Rot. Bonds7

About 2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride

2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride (PubChem CID 67704456) has the molecular formula C22H32ClN5O3 and a molecular weight of 449.98 g/mol. Its IUPAC name is 2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
PubChem CID67704456
Molecular FormulaC22H32ClN5O3
Molecular Weight449.98 g/mol
Exact Mass449.22
IUPAC Name2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
SMILESCCCNc1ccnc(N2CCN(c3ccc(O)cc3OC)CC2)c1C(=O)N(C)C.Cl
InChIInChI=1S/C22H31N5O3.ClH/c1-5-9-23-17-8-10-24-21(20(17)22(29)25(2)3)27-13-11-26(12-14-27)18-7-6-16(28)15-19(18)30-4;/h6-8,10,15,28H,5,9,11-14H2,1-4H3,(H,23,24);1H
InChIKeyNGAITMFMAZWXOO-UHFFFAOYSA-N
XLogP3.07
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 67704361
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
CID 22371024
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N,5-trimethyl-3-(propylamino)benzamide;hydrochloride
CID 67704353
N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 22371080
6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide
CID 67704408
N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 87729472
4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 22371006
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-N,N-dimethylbenzamide
CID 22458090
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109216074
4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide
CID 10552704
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide
CID 67704305

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride (CID 67704456) is 2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride is CCCNc1ccnc(N2CCN(c3ccc(O)cc3OC)CC2)c1C(=O)N(C)C.Cl.
What is the InChIKey of 2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride?
The InChIKey is NGAITMFMAZWXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3.ClH/c1-5-9-23-17-8-10-24-21(20(17)22(29)25(2)3)27-13-11-26(12-14-27)18-7-6-16(28)15-19(18)30-4;/h6-8,10,15,28H,5,9,11-14H2,1-4H3,(H,23,24);1H.
What are the key properties of 2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride?
2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride has a molecular weight of 449.98 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67704456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).