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

C12H19N3O2 — CID 80801764

IUPACmethyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
SMILESCCCNc1cccc(NC(C)C(=O)OC)n1
InChIInChI=1S/C12H19N3O2/c1-4-8-13-10-6-5-7-11(15-10)14-9(2)12(16)17-3/h5-7,9H,4,8H2,1-3H3,(H2,13,14,15)
InChIKeyOHXDOLAEWLETSX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.88
Rot. Bonds6

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

methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate (PubChem CID 80801764) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
PubChem CID80801764
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
SMILESCCCNc1cccc(NC(C)C(=O)OC)n1
InChIInChI=1S/C12H19N3O2/c1-4-8-13-10-6-5-7-11(15-10)14-9(2)12(16)17-3/h5-7,9H,4,8H2,1-3H3,(H2,13,14,15)
InChIKeyOHXDOLAEWLETSX-UHFFFAOYSA-N
XLogP1.88
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate
CID 83214804
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
CID 80778103
2-[2-[[6-(propylamino)-2-pyridinyl]amino]ethoxy]acetamide
CID 106241754
ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate
CID 61499213
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate
CID 80812300
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
ethyl 2-[(6-carbamothioyl-2-pyridinyl)amino]propanoate
CID 64589637
4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
CID 106358070
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate?
The IUPAC name of methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate (CID 80801764) is methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate?
The canonical SMILES for methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate is CCCNc1cccc(NC(C)C(=O)OC)n1.
What is the InChIKey of methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate?
The InChIKey is OHXDOLAEWLETSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-8-13-10-6-5-7-11(15-10)14-9(2)12(16)17-3/h5-7,9H,4,8H2,1-3H3,(H2,13,14,15).
What are the key properties of methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate?
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.88, 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]propanoate is sourced from PubChem (CID 80801764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).