methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate

C14H21N3O4 — CID 62006426

IUPACmethyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate
SMILESCCN(CC)C(=O)c1cc(NC(CO)C(=O)OC)ccn1
InChIInChI=1S/C14H21N3O4/c1-4-17(5-2)13(19)11-8-10(6-7-15-11)16-12(9-18)14(20)21-3/h6-8,12,18H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyJCWNUBCRCLTFCD-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.51
Rot. Bonds7

About methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate

methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate (PubChem CID 62006426) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate
PubChem CID62006426
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namemethyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate
SMILESCCN(CC)C(=O)c1cc(NC(CO)C(=O)OC)ccn1
InChIInChI=1S/C14H21N3O4/c1-4-17(5-2)13(19)11-8-10(6-7-15-11)16-12(9-18)14(20)21-3/h6-8,12,18H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyJCWNUBCRCLTFCD-UHFFFAOYSA-N
XLogP0.51
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 43517392
4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 55228575
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide
CID 106231329
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid
CID 115572227
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
N,N-diethyl-4-[(1-methylcyclopropyl)amino]pyridine-2-carboxamide
CID 113485597
4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395737
N-ethyl-N-(2-methoxyethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62176077
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate (CID 62006426) is methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate is CCN(CC)C(=O)c1cc(NC(CO)C(=O)OC)ccn1.
What is the InChIKey of methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate?
The InChIKey is JCWNUBCRCLTFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-17(5-2)13(19)11-8-10(6-7-15-11)16-12(9-18)14(20)21-3/h6-8,12,18H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate?
methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate has a molecular weight of 295.34 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 62006426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).