2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid

C17H19ClN4O3 — CID 72900257

IUPAC2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCN(c3ccc(Cl)cn3)CC2)cn1
InChIInChI=1S/C17H19ClN4O3/c1-25-15-5-2-12(10-20-15)16(17(23)24)22-8-6-21(7-9-22)14-4-3-13(18)11-19-14/h2-5,10-11,16H,6-9H2,1H3,(H,23,24)
InChIKeyUCZSELIPBWYIEM-UHFFFAOYSA-N
MW362.82 g/mol
LogP2.09
Rot. Bonds5

About 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid

2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid (PubChem CID 72900257) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
PubChem CID72900257
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCN(c3ccc(Cl)cn3)CC2)cn1
InChIInChI=1S/C17H19ClN4O3/c1-25-15-5-2-12(10-20-15)16(17(23)24)22-8-6-21(7-9-22)14-4-3-13(18)11-19-14/h2-5,10-11,16H,6-9H2,1H3,(H,23,24)
InChIKeyUCZSELIPBWYIEM-UHFFFAOYSA-N
XLogP2.09
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 95587281
(2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid
CID 97203633
2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid
CID 72931809
2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 72867662
methyl 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoate
CID 78977347
[4-(1-aminoethyl)phenyl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 166238468
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
CID 60593128
6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053320
1-azabicyclo[2.2.2]octan-2-yl-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 138806991
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 96519241

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid (CID 72900257) is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid is COc1ccc(C(C(=O)O)N2CCN(c3ccc(Cl)cn3)CC2)cn1.
What is the InChIKey of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is UCZSELIPBWYIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-25-15-5-2-12(10-20-15)16(17(23)24)22-8-6-21(7-9-22)14-4-3-13(18)11-19-14/h2-5,10-11,16H,6-9H2,1H3,(H,23,24).
What are the key properties of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 362.82 g/mol, XLogP of 2.09, 5 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]-2-(6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 72900257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).