2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide

C19H24ClN5O2 — CID 75451964

IUPAC2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(C)(C)Nc1ccc(/C(N)=N/OCC(=O)NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H24ClN5O2/c1-19(2,3)24-15-8-9-16(22-11-15)18(21)25-27-12-17(26)23-10-13-4-6-14(20)7-5-13/h4-9,11,24H,10,12H2,1-3H3,(H2,21,25)(H,23,26)
InChIKeyNJQRGEQPNKVLCG-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.90
Rot. Bonds7

About 2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide

2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 75451964) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID75451964
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(C)(C)Nc1ccc(/C(N)=N/OCC(=O)NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H24ClN5O2/c1-19(2,3)24-15-8-9-16(22-11-15)18(21)25-27-12-17(26)23-10-13-4-6-14(20)7-5-13/h4-9,11,24H,10,12H2,1-3H3,(H2,21,25)(H,23,26)
InChIKeyNJQRGEQPNKVLCG-UHFFFAOYSA-N
XLogP2.90
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.90
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-[[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 126808058
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
CID 18292830
5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282005
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide
CID 51228689
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186615
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide
CID 78766801
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109190050
[5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate
CID 151834558

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide (CID 75451964) is 2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide is CC(C)(C)Nc1ccc(/C(N)=N/OCC(=O)NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is NJQRGEQPNKVLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-19(2,3)24-15-8-9-16(22-11-15)18(21)25-27-12-17(26)23-10-13-4-6-14(20)7-5-13/h4-9,11,24H,10,12H2,1-3H3,(H2,21,25)(H,23,26).
What are the key properties of 2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide?
2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 389.89 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 75451964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).