2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide

C13H20N4O2 — CID 114292960

IUPAC2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide
SMILESCCC(C)(C(=O)NCc1ccc(C)nc1)/C(N)=N/O
InChIInChI=1S/C13H20N4O2/c1-4-13(3,11(14)17-19)12(18)16-8-10-6-5-9(2)15-7-10/h5-7,19H,4,8H2,1-3H3,(H2,14,17)(H,16,18)
InChIKeyALMOXXGFTCFDJC-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.17
Rot. Bonds5

About 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide

2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide (PubChem CID 114292960) 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-[(6-methyl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide
PubChem CID114292960
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide
SMILESCCC(C)(C(=O)NCc1ccc(C)nc1)/C(N)=N/O
InChIInChI=1S/C13H20N4O2/c1-4-13(3,11(14)17-19)12(18)16-8-10-6-5-9(2)15-7-10/h5-7,19H,4,8H2,1-3H3,(H2,14,17)(H,16,18)
InChIKeyALMOXXGFTCFDJC-UHFFFAOYSA-N
XLogP1.17
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.17
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-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 76980119
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylbutanamide
CID 114292962
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 113270800
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 113270816
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 55141686
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 76920376
2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 114292605
1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 76980113
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 76950592
1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 80597504

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide?
The IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide (CID 114292960) is 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide is CCC(C)(C(=O)NCc1ccc(C)nc1)/C(N)=N/O.
What is the InChIKey of 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide?
The InChIKey is ALMOXXGFTCFDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-13(3,11(14)17-19)12(18)16-8-10-6-5-9(2)15-7-10/h5-7,19H,4,8H2,1-3H3,(H2,14,17)(H,16,18).
What are the key properties of 2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide?
2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide has a molecular weight of 264.33 g/mol, XLogP of 1.17, 5 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-[(6-methyl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 114292960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).