methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate

C10H10ClN3O4 — CID 89404313

IUPACmethyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate
SMILESCOC(=O)CC(=O)Nc1nc(Cl)ccc1C(N)=O
InChIInChI=1S/C10H10ClN3O4/c1-18-8(16)4-7(15)14-10-5(9(12)17)2-3-6(11)13-10/h2-3H,4H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyRYPXEOACGOFQNB-UHFFFAOYSA-N
MW271.66 g/mol
LogP0.34
Rot. Bonds4

About methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate

methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate (PubChem CID 89404313) has the molecular formula C10H10ClN3O4 and a molecular weight of 271.66 g/mol. Its IUPAC name is methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate
PubChem CID89404313
Molecular FormulaC10H10ClN3O4
Molecular Weight271.66 g/mol
Exact Mass271.04
IUPAC Namemethyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate
SMILESCOC(=O)CC(=O)Nc1nc(Cl)ccc1C(N)=O
InChIInChI=1S/C10H10ClN3O4/c1-18-8(16)4-7(15)14-10-5(9(12)17)2-3-6(11)13-10/h2-3H,4H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyRYPXEOACGOFQNB-UHFFFAOYSA-N
XLogP0.34
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
2,6-dichloropyridine-3-carboxamide
CID 22142778
methyl 4-[(3-amino-6-chloro-2-pyridinyl)amino]-4-oxo-3-(propanoylamino)butanoate
CID 130447989
2-amino-6-chloropyridine-3-carboxamide
CID 22607643
3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-4-oxobutanoic acid
CID 174672537
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
CID 22025904
N'-(2,6-dichloro-3-pyridinyl)propanediamide
CID 66548800
ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 22025937
N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide
CID 104820229
6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63376781
methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 106993631

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate?
The IUPAC name of methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate (CID 89404313) is methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate?
The canonical SMILES for methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate is COC(=O)CC(=O)Nc1nc(Cl)ccc1C(N)=O.
What is the InChIKey of methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate?
The InChIKey is RYPXEOACGOFQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4/c1-18-8(16)4-7(15)14-10-5(9(12)17)2-3-6(11)13-10/h2-3H,4H2,1H3,(H2,12,17)(H,13,14,15).
What are the key properties of methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate?
methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate has a molecular weight of 271.66 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-carbamoyl-6-chloro-2-pyridinyl)amino]-3-oxopropanoate is sourced from PubChem (CID 89404313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).