5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid

C12H18N4O3 — CID 106917773

IUPAC5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
SMILESCNC(=O)C(C)CN(C)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H18N4O3/c1-7(11(17)14-2)6-16(3)10-9(13)4-8(5-15-10)12(18)19/h4-5,7H,6,13H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyNIUHUQNPHNECJH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.18
Rot. Bonds5

About 5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid

5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid (PubChem CID 106917773) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
PubChem CID106917773
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
SMILESCNC(=O)C(C)CN(C)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H18N4O3/c1-7(11(17)14-2)6-16(3)10-9(13)4-8(5-15-10)12(18)19/h4-5,7H,6,13H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyNIUHUQNPHNECJH-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 81439567
5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
CID 81439195
5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81439115
(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124678709
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145
(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124681136
5-amino-6-[(4-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440229
3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 106914413
2-amino-3-methyl-5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 106914407
3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103757167
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
CID 106917226
5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 81446929

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid (CID 106917773) is 5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid is CNC(=O)C(C)CN(C)c1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid?
The InChIKey is NIUHUQNPHNECJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7(11(17)14-2)6-16(3)10-9(13)4-8(5-15-10)12(18)19/h4-5,7H,6,13H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid?
5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106917773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).