methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate

C14H19N3O3 — CID 112731118

IUPACmethyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nc(C)cc(C)c2C(N)=O)C1
InChIInChI=1S/C14H19N3O3/c1-8-6-9(2)16-13(11(8)12(15)18)17-5-4-10(7-17)14(19)20-3/h6,10H,4-5,7H2,1-3H3,(H2,15,18)
InChIKeySUGJQYUSDNBBCU-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.80
Rot. Bonds3

About methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate

methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate (PubChem CID 112731118) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate
PubChem CID112731118
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nc(C)cc(C)c2C(N)=O)C1
InChIInChI=1S/C14H19N3O3/c1-8-6-9(2)16-13(11(8)12(15)18)17-5-4-10(7-17)14(19)20-3/h6,10H,4-5,7H2,1-3H3,(H2,15,18)
InChIKeySUGJQYUSDNBBCU-UHFFFAOYSA-N
XLogP0.80
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate
CID 78920412
4,6-dimethyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 63249057
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate
CID 115538265
2-(azepan-1-yl)-4,6-dimethylpyridine-3-carboxamide
CID 17436858
2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 103534314
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 103533634
2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide
CID 82994231
2-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4,6-dimethylpyridine-3-carboxamide
CID 43599526
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate (CID 112731118) is methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2nc(C)cc(C)c2C(N)=O)C1.
What is the InChIKey of methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate?
The InChIKey is SUGJQYUSDNBBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-6-9(2)16-13(11(8)12(15)18)17-5-4-10(7-17)14(19)20-3/h6,10H,4-5,7H2,1-3H3,(H2,15,18).
What are the key properties of methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate?
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 112731118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).