5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid

C12H18N4O3 — CID 114406077

IUPAC5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)NC(=O)CN(C)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C12H18N4O3/c1-7(2)14-10(17)6-16(3)11-8(13)4-5-9(15-11)12(18)19/h4-5,7H,6,13H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyUPLCOXNRCCIAHA-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.32
Rot. Bonds5

About 5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid

5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid (PubChem CID 114406077) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid
PubChem CID114406077
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)NC(=O)CN(C)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C12H18N4O3/c1-7(2)14-10(17)6-16(3)11-8(13)4-5-9(15-11)12(18)19/h4-5,7H,6,13H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyUPLCOXNRCCIAHA-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 114407703
2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 79826827
5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid
CID 107203250
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164
5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 114405667
2-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55005158
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 55037894
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide
CID 81132412
5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114405528
2-[(6-carbamothioyl-3-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 113320870
2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109
2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 115554773

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid (CID 114406077) is 5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid is CC(C)NC(=O)CN(C)c1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid?
The InChIKey is UPLCOXNRCCIAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7(2)14-10(17)6-16(3)11-8(13)4-5-9(15-11)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-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid?
5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.32, 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-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114406077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).