methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate

C15H23N3O3 — CID 62005961

IUPACmethyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate
SMILESCCN(CC)C(=O)c1cc(N(C)CCC(=O)OC)ccn1
InChIInChI=1S/C15H23N3O3/c1-5-18(6-2)15(20)13-11-12(7-9-16-13)17(3)10-8-14(19)21-4/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyBYSIHBNICMMLSC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.56
Rot. Bonds7

About methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate

methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate (PubChem CID 62005961) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate
PubChem CID62005961
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate
SMILESCCN(CC)C(=O)c1cc(N(C)CCC(=O)OC)ccn1
InChIInChI=1S/C15H23N3O3/c1-5-18(6-2)15(20)13-11-12(7-9-16-13)17(3)10-8-14(19)21-4/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyBYSIHBNICMMLSC-UHFFFAOYSA-N
XLogP1.56
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
CID 62005376
methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 66285535
methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62006034
4-[2-aminoethyl(ethyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63765883
methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate
CID 54899038
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
CID 62006417
4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109214742
methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 103633415
N-ethyl-N-(2-methoxyethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62176077
ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62005214
4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63764911

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate (CID 62005961) is methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate is CCN(CC)C(=O)c1cc(N(C)CCC(=O)OC)ccn1.
What is the InChIKey of methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate?
The InChIKey is BYSIHBNICMMLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-18(6-2)15(20)13-11-12(7-9-16-13)17(3)10-8-14(19)21-4/h7,9,11H,5-6,8,10H2,1-4H3.
What are the key properties of methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate?
methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate has a molecular weight of 293.37 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate is sourced from PubChem (CID 62005961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).