methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate

C11H17N3O2 — CID 80778103

IUPACmethyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
SMILESCCCNc1cccc(NCC(=O)OC)n1
InChIInChI=1S/C11H17N3O2/c1-3-7-12-9-5-4-6-10(14-9)13-8-11(15)16-2/h4-6H,3,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyYNFSVTLZXFFNCR-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.49
Rot. Bonds6

About methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate

methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate (PubChem CID 80778103) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
PubChem CID80778103
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
SMILESCCCNc1cccc(NCC(=O)OC)n1
InChIInChI=1S/C11H17N3O2/c1-3-7-12-9-5-4-6-10(14-9)13-8-11(15)16-2/h4-6H,3,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyYNFSVTLZXFFNCR-UHFFFAOYSA-N
XLogP1.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
CID 54594897
methyl 2-[(6-cyano-2-pyridinyl)amino]acetate
CID 64589954
2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate
CID 83214804
methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80956565
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
CID 80801764
methyl 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetate
CID 106770479
N-propyl-3-[[6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819033
2-[2-[[6-(propylamino)-2-pyridinyl]amino]ethoxy]acetamide
CID 106241754
2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 80787440
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate?
The IUPAC name of methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate (CID 80778103) is methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate?
The canonical SMILES for methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate is CCCNc1cccc(NCC(=O)OC)n1.
What is the InChIKey of methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate?
The InChIKey is YNFSVTLZXFFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-7-12-9-5-4-6-10(14-9)13-8-11(15)16-2/h4-6H,3,7-8H2,1-2H3,(H2,12,13,14).
What are the key properties of methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate?
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate has a molecular weight of 223.28 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate is sourced from PubChem (CID 80778103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).