2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide

C13H20N4O2 — CID 114292663

IUPAC2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(C)(C(=O)N(C)Cc1cccnc1)/C(N)=N/O
InChIInChI=1S/C13H20N4O2/c1-4-13(2,11(14)16-19)12(18)17(3)9-10-6-5-7-15-8-10/h5-8,19H,4,9H2,1-3H3,(H2,14,16)
InChIKeyRBFDZMBRMQQFRU-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.20
Rot. Bonds5

About 2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide

2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 114292663) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID114292663
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(C)(C(=O)N(C)Cc1cccnc1)/C(N)=N/O
InChIInChI=1S/C13H20N4O2/c1-4-13(2,11(14)16-19)12(18)17(3)9-10-6-5-7-15-8-10/h5-8,19H,4,9H2,1-3H3,(H2,14,16)
InChIKeyRBFDZMBRMQQFRU-UHFFFAOYSA-N
XLogP1.20
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
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'}

Analyze 2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149
2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 114292736
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 114293119
3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 63681105
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 114292968
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 76920402
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 61135804
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 76920376
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide (CID 114292663) is 2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide is CCC(C)(C(=O)N(C)Cc1cccnc1)/C(N)=N/O.
What is the InChIKey of 2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is RBFDZMBRMQQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-13(2,11(14)16-19)12(18)17(3)9-10-6-5-7-15-8-10/h5-8,19H,4,9H2,1-3H3,(H2,14,16).
What are the key properties of 2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide?
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 264.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 114292663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).