5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride

C24H34ClN5O — CID 67704522

IUPAC5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
SMILESCCCNc1c(C(=O)N(C)C)cncc1N1CCN(c2ccccc2C2CC2)CC1.Cl
InChIInChI=1S/C24H33N5O.ClH/c1-4-11-26-23-20(24(30)27(2)3)16-25-17-22(23)29-14-12-28(13-15-29)21-8-6-5-7-19(21)18-9-10-18;/h5-8,16-18H,4,9-15H2,1-3H3,(H,25,26);1H
InChIKeyHNZKLICCZYYDRP-UHFFFAOYSA-N
MW444.02 g/mol
LogP4.23
Rot. Bonds7

About 5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride

5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride (PubChem CID 67704522) has the molecular formula C24H34ClN5O and a molecular weight of 444.02 g/mol. Its IUPAC name is 5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
PubChem CID67704522
Molecular FormulaC24H34ClN5O
Molecular Weight444.02 g/mol
Exact Mass443.25
IUPAC Name5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
SMILESCCCNc1c(C(=O)N(C)C)cncc1N1CCN(c2ccccc2C2CC2)CC1.Cl
InChIInChI=1S/C24H33N5O.ClH/c1-4-11-26-23-20(24(30)27(2)3)16-25-17-22(23)29-14-12-28(13-15-29)21-8-6-5-7-19(21)18-9-10-18;/h5-8,16-18H,4,9-15H2,1-3H3,(H,25,26);1H
InChIKeyHNZKLICCZYYDRP-UHFFFAOYSA-N
XLogP4.23
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.02
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide
CID 67704321
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
CID 22371024
N,N,5-trimethyl-3-[4-(2-nitrophenyl)piperazin-1-yl]-2-(propylamino)benzamide;hydrochloride
CID 67704476
2-cyclopropyl-N,N-dimethylbenzamide
CID 144712792
4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 22371006
3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide
CID 23142984
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N,5-trimethyl-3-(propylamino)benzamide;hydrochloride
CID 67704353
1-(2-cyclopentylphenyl)-4-propylpiperazine
CID 23142751
ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 59769450
4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid
CID 174516681
N,N-dimethyl-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 22371080
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride
CID 23143135

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride (CID 67704522) is 5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride is CCCNc1c(C(=O)N(C)C)cncc1N1CCN(c2ccccc2C2CC2)CC1.Cl.
What is the InChIKey of 5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride?
The InChIKey is HNZKLICCZYYDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O.ClH/c1-4-11-26-23-20(24(30)27(2)3)16-25-17-22(23)29-14-12-28(13-15-29)21-8-6-5-7-19(21)18-9-10-18;/h5-8,16-18H,4,9-15H2,1-3H3,(H,25,26);1H.
What are the key properties of 5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride?
5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride has a molecular weight of 444.02 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67704522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).