5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid

C13H20N4O2 — CID 114133278

IUPAC5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid
SMILESCC(CNc1nc(C(=O)O)ccc1N)N(C)C1CC1
InChIInChI=1S/C13H20N4O2/c1-8(17(2)9-3-4-9)7-15-12-10(14)5-6-11(16-12)13(18)19/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyBEKMMXZTKVNBTJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.26
Rot. Bonds6

About 5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid

5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid (PubChem CID 114133278) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid
PubChem CID114133278
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid
SMILESCC(CNc1nc(C(=O)O)ccc1N)N(C)C1CC1
InChIInChI=1S/C13H20N4O2/c1-8(17(2)9-3-4-9)7-15-12-10(14)5-6-11(16-12)13(18)19/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyBEKMMXZTKVNBTJ-UHFFFAOYSA-N
XLogP1.26
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine
CID 114133019
4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid
CID 114214864
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114404985
5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid
CID 114405447
5-amino-6-(3-ethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 114406677
6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid
CID 114132746
5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
CID 114404928
5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 114404952
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 114133461
5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
CID 107817789
5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 114407683

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid (CID 114133278) is 5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid is CC(CNc1nc(C(=O)O)ccc1N)N(C)C1CC1.
What is the InChIKey of 5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid?
The InChIKey is BEKMMXZTKVNBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(17(2)9-3-4-9)7-15-12-10(14)5-6-11(16-12)13(18)19/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid?
5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114133278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).