2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide

C20H25ClN4O3 — CID 60593128

IUPAC2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)N2CCN(c3ccc(Cl)cn3)CC2)c1
InChIInChI=1S/C20H25ClN4O3/c1-14(20(26)23-17-12-16(27-2)5-6-18(17)28-3)24-8-10-25(11-9-24)19-7-4-15(21)13-22-19/h4-7,12-14H,8-11H2,1-3H3,(H,23,26)
InChIKeySHAIZTDVRJYNSA-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.90
Rot. Bonds6

About 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide

2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide (PubChem CID 60593128) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
PubChem CID60593128
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)N2CCN(c3ccc(Cl)cn3)CC2)c1
InChIInChI=1S/C20H25ClN4O3/c1-14(20(26)23-17-12-16(27-2)5-6-18(17)28-3)24-8-10-25(11-9-24)19-7-4-15(21)13-22-19/h4-7,12-14H,8-11H2,1-3H3,(H,23,26)
InChIKeySHAIZTDVRJYNSA-UHFFFAOYSA-N
XLogP2.90
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4876524
N-(5-chloro-2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168044
N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17447434
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446137
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46444817
N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 43061865
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019505
1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921796
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 16599145
N-(3,5-dimethoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 17427733
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide (CID 60593128) is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(NC(=O)C(C)N2CCN(c3ccc(Cl)cn3)CC2)c1.
What is the InChIKey of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is SHAIZTDVRJYNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c1-14(20(26)23-17-12-16(27-2)5-6-18(17)28-3)24-8-10-25(11-9-24)19-7-4-15(21)13-22-19/h4-7,12-14H,8-11H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide?
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 404.90 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 60593128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).