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

C22H31Cl2N5O2 — CID 21473425

IUPAC6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCNc2nc(Cl)ccc2C(=O)N(C)C)CC1.Cl
InChIInChI=1S/C22H30ClN5O2.ClH/c1-26(2)22(29)17-9-10-20(23)25-21(17)24-11-6-12-27-13-15-28(16-14-27)18-7-4-5-8-19(18)30-3;/h4-5,7-10H,6,11-16H2,1-3H3,(H,24,25);1H
InChIKeyBGHXHYASBPHOER-UHFFFAOYSA-N
MW468.43 g/mol
LogP3.49
Rot. Bonds8

About 6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride

6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride (PubChem CID 21473425) has the molecular formula C22H31Cl2N5O2 and a molecular weight of 468.43 g/mol. Its IUPAC name is 6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
PubChem CID21473425
Molecular FormulaC22H31Cl2N5O2
Molecular Weight468.43 g/mol
Exact Mass467.19
IUPAC Name6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCNc2nc(Cl)ccc2C(=O)N(C)C)CC1.Cl
InChIInChI=1S/C22H30ClN5O2.ClH/c1-26(2)22(29)17-9-10-20(23)25-21(17)24-11-6-12-27-13-15-28(16-14-27)18-7-4-5-8-19(18)30-3;/h4-5,7-10H,6,11-16H2,1-3H3,(H,24,25);1H
InChIKeyBGHXHYASBPHOER-UHFFFAOYSA-N
XLogP3.49
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride
CID 21473401
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-N,N-dimethylbenzamide
CID 22458090
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
CID 22371024
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473475
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
N-methoxy-N-methyl-2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride
CID 21473428
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine
CID 110184363
6-chloro-N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]pyridine-3-carboxamide
CID 71658206
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805876
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10364070

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride (CID 21473425) is 6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride is COc1ccccc1N1CCN(CCCNc2nc(Cl)ccc2C(=O)N(C)C)CC1.Cl.
What is the InChIKey of 6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
The InChIKey is BGHXHYASBPHOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN5O2.ClH/c1-26(2)22(29)17-9-10-20(23)25-21(17)24-11-6-12-27-13-15-28(16-14-27)18-7-4-5-8-19(18)30-3;/h4-5,7-10H,6,11-16H2,1-3H3,(H,24,25);1H.
What are the key properties of 6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride has a molecular weight of 468.43 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 21473425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).