5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid

C12H18N4O3 — CID 103113348

IUPAC5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
SMILESCCN(C)C(=O)C(C)Nc1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H18N4O3/c1-4-16(3)11(17)7(2)15-10-9(13)5-8(6-14-10)12(18)19/h5-7H,4,13H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyKJMSPMJUTPGMBL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.64
Rot. Bonds5

About 5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid

5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 103113348) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID103113348
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
SMILESCCN(C)C(=O)C(C)Nc1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H18N4O3/c1-4-16(3)11(17)7(2)15-10-9(13)5-8(6-14-10)12(18)19/h5-7H,4,13H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyKJMSPMJUTPGMBL-UHFFFAOYSA-N
XLogP0.64
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-5-chloro-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103106676
5-amino-6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-3-carboxylic acid
CID 81439016
5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid
CID 81438845
5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54950742
5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid
CID 106028468
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3,5-difluorobenzoic acid
CID 103110886
2-[(5-amino-1,3-thiazol-2-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106716
5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81439291
5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81439860
5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81439783
2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
CID 103365954
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103114114

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid (CID 103113348) is 5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid is CCN(C)C(=O)C(C)Nc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is KJMSPMJUTPGMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-4-16(3)11(17)7(2)15-10-9(13)5-8(6-14-10)12(18)19/h5-7H,4,13H2,1-3H3,(H,14,15)(H,18,19).
What are the key properties of 5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid?
5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 103113348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).