N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C19H23ClN4O2 — CID 4876524

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-14(19(25)22-16-13-15(20)6-7-17(16)26-2)23-9-11-24(12-10-23)18-5-3-4-8-21-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)
InChIKeyNFMQBJDENUQWHP-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.89
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 4876524) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID4876524
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-14(19(25)22-16-13-15(20)6-7-17(16)26-2)23-9-11-24(12-10-23)18-5-3-4-8-21-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)
InChIKeyNFMQBJDENUQWHP-UHFFFAOYSA-N
XLogP2.89
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446137
N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17447434
N-(5-chloro-2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168044
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108502327
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
CID 60593128
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790148
(2R)-N-(2,5-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446163
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446073
N-[4-(hydroxyamino)-2-methylphenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 134593260
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019505
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 16599145
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 4876524) is N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is COc1ccc(Cl)cc1NC(=O)C(C)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is NFMQBJDENUQWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-14(19(25)22-16-13-15(20)6-7-17(16)26-2)23-9-11-24(12-10-23)18-5-3-4-8-21-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 374.87 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 4876524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).