2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide

C13H20N4O2 — CID 114292605

IUPAC2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide
SMILESCCC(C)(C(=O)NCCc1ccccn1)/C(N)=N/O
InChIInChI=1S/C13H20N4O2/c1-3-13(2,11(14)17-19)12(18)16-9-7-10-6-4-5-8-15-10/h4-6,8,19H,3,7,9H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyNNWNEVWMZUMBQF-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.90
Rot. Bonds6

About 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide

2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide (PubChem CID 114292605) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound Name2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide
PubChem CID114292605
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide
SMILESCCC(C)(C(=O)NCCc1ccccn1)/C(N)=N/O
InChIInChI=1S/C13H20N4O2/c1-3-13(2,11(14)17-19)12(18)16-9-7-10-6-4-5-8-15-10/h4-6,8,19H,3,7,9H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyNNWNEVWMZUMBQF-UHFFFAOYSA-N
XLogP0.90
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949
2,2-dimethyl-N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111193761
4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide
CID 115157427
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76919338
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170
ethyl 3,3-dimethyl-2-(2-pyridin-2-ylethylcarbamoyl)butanoate
CID 116537643
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 79804719
2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 114292960

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide?
The IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide (CID 114292605) is 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide?
The canonical SMILES for 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide is CCC(C)(C(=O)NCCc1ccccn1)/C(N)=N/O.
What is the InChIKey of 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide?
The InChIKey is NNWNEVWMZUMBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-13(2,11(14)17-19)12(18)16-9-7-10-6-4-5-8-15-10/h4-6,8,19H,3,7,9H2,1-2H3,(H2,14,17)(H,16,18).
What are the key properties of 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide?
2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide has a molecular weight of 264.33 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 114292605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).