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

C14H20N4O4 — CID 119036850

IUPACmethyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate
SMILESCNC(=O)C(C)CN(C)C(=O)Nc1cccnc1C(=O)OC
InChIInChI=1S/C14H20N4O4/c1-9(12(19)15-2)8-18(3)14(21)17-10-6-5-7-16-11(10)13(20)22-4/h5-7,9H,8H2,1-4H3,(H,15,19)(H,17,21)
InChIKeyCPRBPLTWYLXITD-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.71
Rot. Bonds5

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

methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate (PubChem CID 119036850) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate
PubChem CID119036850
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Namemethyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate
SMILESCNC(=O)C(C)CN(C)C(=O)Nc1cccnc1C(=O)OC
InChIInChI=1S/C14H20N4O4/c1-9(12(19)15-2)8-18(3)14(21)17-10-6-5-7-16-11(10)13(20)22-4/h5-7,9H,8H2,1-4H3,(H,15,19)(H,17,21)
InChIKeyCPRBPLTWYLXITD-UHFFFAOYSA-N
XLogP0.71
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
(2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569823
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103722285
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
CID 107518636
methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate
CID 122147311
3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid
CID 55007752
(2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide
CID 96569745
2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid
CID 122077569
3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 106914478

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate (CID 119036850) is methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate is CNC(=O)C(C)CN(C)C(=O)Nc1cccnc1C(=O)OC.
What is the InChIKey of methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate?
The InChIKey is CPRBPLTWYLXITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-9(12(19)15-2)8-18(3)14(21)17-10-6-5-7-16-11(10)13(20)22-4/h5-7,9H,8H2,1-4H3,(H,15,19)(H,17,21).
What are the key properties of methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate?
methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 119036850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).