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

C14H22N4O2 — CID 76939036

IUPAC2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
SMILESCCC(CC)(C(=O)NCc1cccc(C)n1)C(N)=NO
InChIInChI=1S/C14H22N4O2/c1-4-14(5-2,12(15)18-20)13(19)16-9-11-8-6-7-10(3)17-11/h6-8,20H,4-5,9H2,1-3H3,(H2,15,18)(H,16,19)
InChIKeyAOZUFTGEYDWHLY-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.56
Rot. Bonds6

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

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide (PubChem CID 76939036) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
PubChem CID76939036
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
SMILESCCC(CC)(C(=O)NCc1cccc(C)n1)C(N)=NO
InChIInChI=1S/C14H22N4O2/c1-4-14(5-2,12(15)18-20)13(19)16-9-11-8-6-7-10(3)17-11/h6-8,20H,4-5,9H2,1-3H3,(H2,15,18)(H,16,19)
InChIKeyAOZUFTGEYDWHLY-UHFFFAOYSA-N
XLogP1.56
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.56
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-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 76939038
2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide
CID 62322495
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
CID 62306669
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 114293119
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
CID 55057245
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 76988657
N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide
CID 106711107
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 62307698

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide?
The IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide (CID 76939036) is 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide?
The canonical SMILES for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide is CCC(CC)(C(=O)NCc1cccc(C)n1)C(N)=NO.
What is the InChIKey of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide?
The InChIKey is AOZUFTGEYDWHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-14(5-2,12(15)18-20)13(19)16-9-11-8-6-7-10(3)17-11/h6-8,20H,4-5,9H2,1-3H3,(H2,15,18)(H,16,19).
What are the key properties of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide?
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide has a molecular weight of 278.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide is sourced from PubChem (CID 76939036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).