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

C24H36ClN5O2 — CID 22371080

IUPACN,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride
SMILESCCCNc1nccc(N2CCN(c3ccccc3OC(C)C)CC2)c1C(=O)N(C)C.Cl
InChIInChI=1S/C24H35N5O2.ClH/c1-6-12-25-23-22(24(30)27(4)5)20(11-13-26-23)29-16-14-28(15-17-29)19-9-7-8-10-21(19)31-18(2)3;/h7-11,13,18H,6,12,14-17H2,1-5H3,(H,25,26);1H
InChIKeyAEAWPCJWAIWSRO-UHFFFAOYSA-N
MW462.04 g/mol
LogP4.14
Rot. Bonds8

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

N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride (PubChem CID 22371080) has the molecular formula C24H36ClN5O2 and a molecular weight of 462.04 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride
PubChem CID22371080
Molecular FormulaC24H36ClN5O2
Molecular Weight462.04 g/mol
Exact Mass461.26
IUPAC NameN,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride
SMILESCCCNc1nccc(N2CCN(c3ccccc3OC(C)C)CC2)c1C(=O)N(C)C.Cl
InChIInChI=1S/C24H35N5O2.ClH/c1-6-12-25-23-22(24(30)27(4)5)20(11-13-26-23)29-16-14-28(15-17-29)19-9-7-8-10-21(19)31-18(2)3;/h7-11,13,18H,6,12,14-17H2,1-5H3,(H,25,26);1H
InChIKeyAEAWPCJWAIWSRO-UHFFFAOYSA-N
XLogP4.14
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.04
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 22371006
4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 22370998
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
CID 22371024
N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106309
2-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 67704456
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 9430380
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N,5-trimethyl-3-(propylamino)benzamide;hydrochloride
CID 67704353
N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109204
N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride
CID 21473401
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
2-[3-(dimethylamino)anilino]-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586119

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride (CID 22371080) is N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride is CCCNc1nccc(N2CCN(c3ccccc3OC(C)C)CC2)c1C(=O)N(C)C.Cl.
What is the InChIKey of N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride?
The InChIKey is AEAWPCJWAIWSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2.ClH/c1-6-12-25-23-22(24(30)27(4)5)20(11-13-26-23)29-16-14-28(15-17-29)19-9-7-8-10-21(19)31-18(2)3;/h7-11,13,18H,6,12,14-17H2,1-5H3,(H,25,26);1H.
What are the key properties of N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride?
N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride has a molecular weight of 462.04 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 22371080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).