methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate

C11H16N4O3 — CID 114047133

IUPACmethyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
SMILESCNC(=O)CCNc1ncc(N)cc1C(=O)OC
InChIInChI=1S/C11H16N4O3/c1-13-9(16)3-4-14-10-8(11(17)18-2)5-7(12)6-15-10/h5-6H,3-4,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyLGJRNGDNFUQRCA-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.00
Rot. Bonds5

About methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate

methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate (PubChem CID 114047133) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
PubChem CID114047133
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
SMILESCNC(=O)CCNc1ncc(N)cc1C(=O)OC
InChIInChI=1S/C11H16N4O3/c1-13-9(16)3-4-14-10-8(11(17)18-2)5-7(12)6-15-10/h5-6H,3-4,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyLGJRNGDNFUQRCA-UHFFFAOYSA-N
XLogP-0.00
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
5-amino-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 79385386
methyl 5-amino-2-(1,2-oxazol-5-ylmethylamino)pyridine-3-carboxylate
CID 106422646
methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 114047408
methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate
CID 19791897
methyl 5-amino-2-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carboxylate
CID 114047294
5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid
CID 114098601
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106341952
5-amino-2-(octylamino)pyridine-3-carboxylic acid
CID 114047314
methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate
CID 114047485
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate (CID 114047133) is methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate is CNC(=O)CCNc1ncc(N)cc1C(=O)OC.
What is the InChIKey of methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate?
The InChIKey is LGJRNGDNFUQRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-13-9(16)3-4-14-10-8(11(17)18-2)5-7(12)6-15-10/h5-6H,3-4,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate?
methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 114047133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).