2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide

C19H23ClN4O2 — CID 17459411

IUPAC2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C19H23ClN4O2/c1-14(26-17-6-3-15(20)4-7-17)19(25)22-16-5-8-18(21-13-16)24-11-9-23(2)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)
InChIKeyFCXWPBUYKPGGHR-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.89
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide

2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide (PubChem CID 17459411) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
PubChem CID17459411
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C19H23ClN4O2/c1-14(26-17-6-3-15(20)4-7-17)19(25)22-16-5-8-18(21-13-16)24-11-9-23(2)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)
InChIKeyFCXWPBUYKPGGHR-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

(2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 25396972
2-(4-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 17419365
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041620
2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 24590426
2-(4-chloro-3-methylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55823804
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545
1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea
CID 78833294
2-(3,4-dichlorophenoxy)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]propanamide
CID 55795684
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
(2S)-2-(4-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 30857195

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide (CID 17459411) is 2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?
The InChIKey is FCXWPBUYKPGGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-14(26-17-6-3-15(20)4-7-17)19(25)22-16-5-8-18(21-13-16)24-11-9-23(2)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?
2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]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 2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 17459411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).