methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate

C13H19N3O3 — CID 62005376

IUPACmethyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
SMILESCNC(=O)c1cc(N(C)CCCC(=O)OC)ccn1
InChIInChI=1S/C13H19N3O3/c1-14-13(18)11-9-10(6-7-15-11)16(2)8-4-5-12(17)19-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,18)
InChIKeyGRVVVNYDQLKPCV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.83
Rot. Bonds6

About methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate

methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate (PubChem CID 62005376) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
PubChem CID62005376
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
SMILESCNC(=O)c1cc(N(C)CCCC(=O)OC)ccn1
InChIInChI=1S/C13H19N3O3/c1-14-13(18)11-9-10(6-7-15-11)16(2)8-4-5-12(17)19-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,18)
InChIKeyGRVVVNYDQLKPCV-UHFFFAOYSA-N
XLogP0.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate
CID 62005961
methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62006034
methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
CID 62006417
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61147334
4-[butyl(methyl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109217852
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
CID 61447985
4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 43517704
4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211411
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate?
The IUPAC name of methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate (CID 62005376) is methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate?
The canonical SMILES for methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate is CNC(=O)c1cc(N(C)CCCC(=O)OC)ccn1.
What is the InChIKey of methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate?
The InChIKey is GRVVVNYDQLKPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-14-13(18)11-9-10(6-7-15-11)16(2)8-4-5-12(17)19-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,18).
What are the key properties of methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate?
methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate has a molecular weight of 265.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate is sourced from PubChem (CID 62005376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).