2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide

C18H29N5O2 — CID 75264379

IUPAC2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CON=C(N)c1cccnc1N1CCCCC1
InChIInChI=1S/C18H29N5O2/c1-13(2)14(3)21-16(24)12-25-22-17(19)15-8-7-9-20-18(15)23-10-5-4-6-11-23/h7-9,13-14H,4-6,10-12H2,1-3H3,(H2,19,22)(H,21,24)
InChIKeyNXNOSAXXTHAKBP-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.87
Rot. Bonds7

About 2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide

2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide (PubChem CID 75264379) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide
PubChem CID75264379
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CON=C(N)c1cccnc1N1CCCCC1
InChIInChI=1S/C18H29N5O2/c1-13(2)14(3)21-16(24)12-25-22-17(19)15-8-7-9-20-18(15)23-10-5-4-6-11-23/h7-9,13-14H,4-6,10-12H2,1-3H3,(H2,19,22)(H,21,24)
InChIKeyNXNOSAXXTHAKBP-UHFFFAOYSA-N
XLogP1.87
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide 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-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 52534597
2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 52534598
[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35188829
methyl 5-[[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxymethyl]furan-2-carboxylate
CID 76878083
N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 97009230
N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 78905688
N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 60588737
(2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
CID 119363491
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N'-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 134007979
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441256

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide (CID 75264379) is 2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CON=C(N)c1cccnc1N1CCCCC1.
What is the InChIKey of 2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is NXNOSAXXTHAKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13(2)14(3)21-16(24)12-25-22-17(19)15-8-7-9-20-18(15)23-10-5-4-6-11-23/h7-9,13-14H,4-6,10-12H2,1-3H3,(H2,19,22)(H,21,24).
What are the key properties of 2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide?
2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 75264379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).