2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate

C18H20ClN3O5 — CID 171560944

IUPAC2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
SMILESCOc1ccnc(C(=O)NC(C)C(=O)OCC(C)c2ncccc2Cl)c1O
InChIInChI=1S/C18H20ClN3O5/c1-10(14-12(19)5-4-7-20-14)9-27-18(25)11(2)22-17(24)15-16(23)13(26-3)6-8-21-15/h4-8,10-11,23H,9H2,1-3H3,(H,22,24)
InChIKeyKVNSNSGBHUFLSD-UHFFFAOYSA-N
MW393.83 g/mol
LogP2.31
Rot. Bonds7

About 2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate

2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate (PubChem CID 171560944) has the molecular formula C18H20ClN3O5 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
PubChem CID171560944
Molecular FormulaC18H20ClN3O5
Molecular Weight393.83 g/mol
Exact Mass393.11
IUPAC Name2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
SMILESCOc1ccnc(C(=O)NC(C)C(=O)OCC(C)c2ncccc2Cl)c1O
InChIInChI=1S/C18H20ClN3O5/c1-10(14-12(19)5-4-7-20-14)9-27-18(25)11(2)22-17(24)15-16(23)13(26-3)6-8-21-15/h4-8,10-11,23H,9H2,1-3H3,(H,22,24)
InChIKeyKVNSNSGBHUFLSD-UHFFFAOYSA-N
XLogP2.31
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate with MolForge

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Related Compounds

[2-[[1-[2-(3-chloro-2-pyridinyl)propoxy]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl]oxymethyl 2-methylpropanoate
CID 171560950
3-hydroxy-4-methoxy-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide
CID 163574923
(2-phenoxy-2-phenylethyl) (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 145114799
[(2S)-1-phenylpropan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 146589882
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
[(2S)-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121466267
[(1R,2S)-1-(2-chlorophenoxy)-1-phenylpropan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462239
[(2S,3R)-4-(4-chlorophenyl)-3-phenylbutan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462956
[(2S)-4-methylpent-4-en-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 145115451
3-pyridin-3-ylbutan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 175020711
(3-benzyl-4-phenoxybutan-2-yl) (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121455359
[3-(4-chlorophenyl)-3-methylbutan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 138532845

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate?
The IUPAC name of 2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate (CID 171560944) is 2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate is COc1ccnc(C(=O)NC(C)C(=O)OCC(C)c2ncccc2Cl)c1O.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate?
The InChIKey is KVNSNSGBHUFLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5/c1-10(14-12(19)5-4-7-20-14)9-27-18(25)11(2)22-17(24)15-16(23)13(26-3)6-8-21-15/h4-8,10-11,23H,9H2,1-3H3,(H,22,24).
What are the key properties of 2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate?
2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate has a molecular weight of 393.83 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 171560944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).