ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate

C15H20N4O4 — CID 50906669

IUPACethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)NNC(=O)c2cccnc2)CC1(C)C
InChIInChI=1S/C15H20N4O4/c1-4-23-12(21)15(9-14(15,2)3)17-13(22)19-18-11(20)10-6-5-7-16-8-10/h5-8H,4,9H2,1-3H3,(H,18,20)(H2,17,19,22)
InChIKeyHHDRRDYBUZZKPX-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.76
Rot. Bonds4

About ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate

ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate (PubChem CID 50906669) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate
PubChem CID50906669
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Nameethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)NNC(=O)c2cccnc2)CC1(C)C
InChIInChI=1S/C15H20N4O4/c1-4-23-12(21)15(9-14(15,2)3)17-13(22)19-18-11(20)10-6-5-7-16-8-10/h5-8H,4,9H2,1-3H3,(H,18,20)(H2,17,19,22)
InChIKeyHHDRRDYBUZZKPX-UHFFFAOYSA-N
XLogP0.76
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl acetate
CID 174633921
1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
CID 972166
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate
CID 102078444
ethyl 3-bromo-4-(pyridine-3-carbonylamino)benzoate
CID 43623837
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea
CID 23300028
ethyl 3-(pyridine-3-carbonyl)but-3-enoate
CID 22457754
N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 839627
ethyl benzoate;pyridine-3-carboxamide
CID 175250777
N'-decanoylpyridine-3-carbohydrazide
CID 132992060

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate (CID 50906669) is ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate is CCOC(=O)C1(NC(=O)NNC(=O)c2cccnc2)CC1(C)C.
What is the InChIKey of ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate?
The InChIKey is HHDRRDYBUZZKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-4-23-12(21)15(9-14(15,2)3)17-13(22)19-18-11(20)10-6-5-7-16-8-10/h5-8H,4,9H2,1-3H3,(H,18,20)(H2,17,19,22).
What are the key properties of ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate?
ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-1-[(pyridine-3-carbonylamino)carbamoylamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 50906669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).