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

C24H36ClN5O2 — CID 21473401

IUPACN,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1.Cl
InChIInChI=1S/C24H35N5O2.ClH/c1-4-28(5-2)24(30)20-10-8-13-25-23(20)26-14-9-15-27-16-18-29(19-17-27)21-11-6-7-12-22(21)31-3;/h6-8,10-13H,4-5,9,14-19H2,1-3H3,(H,25,26);1H
InChIKeyKXZMCDHXSRXVJD-UHFFFAOYSA-N
MW462.04 g/mol
LogP3.62
Rot. Bonds10

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

N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride (PubChem CID 21473401) has the molecular formula C24H36ClN5O2 and a molecular weight of 462.04 g/mol. Its IUPAC name is N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride
PubChem CID21473401
Molecular FormulaC24H36ClN5O2
Molecular Weight462.04 g/mol
Exact Mass461.26
IUPAC NameN,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1.Cl
InChIInChI=1S/C24H35N5O2.ClH/c1-4-28(5-2)24(30)20-10-8-13-25-23(20)26-14-9-15-27-16-18-29(19-17-27)21-11-6-7-12-22(21)31-3;/h6-8,10-13H,4-5,9,14-19H2,1-3H3,(H,25,26);1H
InChIKeyKXZMCDHXSRXVJD-UHFFFAOYSA-N
XLogP3.62
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.04
LogP ≤ 53.62
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

N-methoxy-N-methyl-2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride
CID 21473428
6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473425
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473475
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-N,N-dimethylbenzamide
CID 22458090
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine
CID 89427881
2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11027407
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
CID 22371024
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
ethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-4,6-dimethylpyrimidine-5-carboxylate
CID 10347539
(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 10894526

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride (CID 21473401) is N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride is CCN(CC)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1.Cl.
What is the InChIKey of N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride?
The InChIKey is KXZMCDHXSRXVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2.ClH/c1-4-28(5-2)24(30)20-10-8-13-25-23(20)26-14-9-15-27-16-18-29(19-17-27)21-11-6-7-12-22(21)31-3;/h6-8,10-13H,4-5,9,14-19H2,1-3H3,(H,25,26);1H.
What are the key properties of N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride?
N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride has a molecular weight of 462.04 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 21473401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).