methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate

C13H13N3O2 — CID 11230271

IUPACmethyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate
SMILESCOC(=O)C(Nc1cccnc1)c1ccncc1
InChIInChI=1S/C13H13N3O2/c1-18-13(17)12(10-4-7-14-8-5-10)16-11-3-2-6-15-9-11/h2-9,12,16H,1H3
InChIKeyUYOPBUWGIPLMAC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.80
Rot. Bonds4

About methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate

methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate (PubChem CID 11230271) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate
PubChem CID11230271
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Namemethyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate
SMILESCOC(=O)C(Nc1cccnc1)c1ccncc1
InChIInChI=1S/C13H13N3O2/c1-18-13(17)12(10-4-7-14-8-5-10)16-11-3-2-6-15-9-11/h2-9,12,16H,1H3
InChIKeyUYOPBUWGIPLMAC-UHFFFAOYSA-N
XLogP1.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate
CID 55036159
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
2-(4-methoxyanilino)-2-pyridin-3-ylacetamide
CID 54889099
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
methyl 2-(pyridin-3-ylcarbamoyl)butanoate
CID 115187840
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
2-(pyridin-3-ylamino)butanoic acid
CID 90735092
methyl 3-oxo-2-pyridin-3-ylbutanoate
CID 54382614
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
CID 60994307
methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808

Frequently Asked Questions

What is the IUPAC name of methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate?
The IUPAC name of methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate (CID 11230271) is methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate.
What is the SMILES notation for methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate?
The canonical SMILES for methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate is COC(=O)C(Nc1cccnc1)c1ccncc1.
What is the InChIKey of methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate?
The InChIKey is UYOPBUWGIPLMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-13(17)12(10-4-7-14-8-5-10)16-11-3-2-6-15-9-11/h2-9,12,16H,1H3.
What are the key properties of methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate?
methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate has a molecular weight of 243.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate is sourced from PubChem (CID 11230271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).