methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate

C20H22N4O6 — CID 139180597

IUPACmethyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1cnccc1-c1ccncc1C(=O)N[C@H](C)C(=O)OC
InChIInChI=1S/C20H22N4O6/c1-11(19(27)29-3)23-17(25)15-9-21-7-5-13(15)14-6-8-22-10-16(14)18(26)24-12(2)20(28)30-4/h5-12H,1-4H3,(H,23,25)(H,24,26)/t11-,12-/m1/s1
InChIKeyXFWJJRJVHPKHTA-VXGBXAGGSA-N
MW414.42 g/mol
LogP0.73
Rot. Bonds7

About methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate

methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate (PubChem CID 139180597) has the molecular formula C20H22N4O6 and a molecular weight of 414.42 g/mol. Its IUPAC name is methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate
PubChem CID139180597
Molecular FormulaC20H22N4O6
Molecular Weight414.42 g/mol
Exact Mass414.15
IUPAC Namemethyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1cnccc1-c1ccncc1C(=O)N[C@H](C)C(=O)OC
InChIInChI=1S/C20H22N4O6/c1-11(19(27)29-3)23-17(25)15-9-21-7-5-13(15)14-6-8-22-10-16(14)18(26)24-12(2)20(28)30-4/h5-12H,1-4H3,(H,23,25)(H,24,26)/t11-,12-/m1/s1
InChIKeyXFWJJRJVHPKHTA-VXGBXAGGSA-N
XLogP0.73
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate with MolForge

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Launch Full Analysis

Related Compounds

4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 81243304
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
CID 107358613
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860
3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105071103
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135183
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 104671773
N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide
CID 81445583
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105069443

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate (CID 139180597) is methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)c1cnccc1-c1ccncc1C(=O)N[C@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate?
The InChIKey is XFWJJRJVHPKHTA-VXGBXAGGSA-N. The full InChI is InChI=1S/C20H22N4O6/c1-11(19(27)29-3)23-17(25)15-9-21-7-5-13(15)14-6-8-22-10-16(14)18(26)24-12(2)20(28)30-4/h5-12H,1-4H3,(H,23,25)(H,24,26)/t11-,12-/m1/s1.
What are the key properties of methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate?
methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate has a molecular weight of 414.42 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 139180597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).