N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide

C13H20N4O3 — CID 47139507

IUPACN-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide
SMILESCOc1ccc(NC(=O)NCC(=O)NC(C)(C)C)cn1
InChIInChI=1S/C13H20N4O3/c1-13(2,3)17-10(18)8-15-12(19)16-9-5-6-11(20-4)14-7-9/h5-7H,8H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyLMEAVYJVRUFMSF-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.13
Rot. Bonds4

About N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide

N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide (PubChem CID 47139507) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide
PubChem CID47139507
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide
SMILESCOc1ccc(NC(=O)NCC(=O)NC(C)(C)C)cn1
InChIInChI=1S/C13H20N4O3/c1-13(2,3)17-10(18)8-15-12(19)16-9-5-6-11(20-4)14-7-9/h5-7H,8H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyLMEAVYJVRUFMSF-UHFFFAOYSA-N
XLogP1.13
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetate
CID 43385059
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
2-[(6-methoxy-3-pyridinyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 54956647
N-tert-butyl-2-[(4-methylphenyl)carbamoylamino]acetamide
CID 17432752
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate
CID 3247497
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896
4-amino-N-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl]benzamide
CID 43822670
1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94028409
N-tert-butyl-2-[[N'-[(6-methoxy-3-pyridinyl)methyl]-N-(4-propan-2-yloxyphenyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111867073

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide (CID 47139507) is N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide is COc1ccc(NC(=O)NCC(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide?
The InChIKey is LMEAVYJVRUFMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(2,3)17-10(18)8-15-12(19)16-9-5-6-11(20-4)14-7-9/h5-7H,8H2,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide?
N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide has a molecular weight of 280.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide is sourced from PubChem (CID 47139507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).