N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine

C15H18N4O2 — CID 144697614

IUPACN-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine
SMILES[H]/N=C(\c1ccnc(NO)c1)c1cc(OC(C)C)ccc1N
InChIInChI=1S/C15H18N4O2/c1-9(2)21-11-3-4-13(16)12(8-11)15(17)10-5-6-18-14(7-10)19-20/h3-9,17,20H,16H2,1-2H3,(H,18,19)/b17-15+
InChIKeyANJCMSXEJDCKQL-BMRADRMJSA-N
MW286.33 g/mol
LogP2.67
Rot. Bonds5

About N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine

N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine (PubChem CID 144697614) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine
PubChem CID144697614
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine
SMILES[H]/N=C(\c1ccnc(NO)c1)c1cc(OC(C)C)ccc1N
InChIInChI=1S/C15H18N4O2/c1-9(2)21-11-3-4-13(16)12(8-11)15(17)10-5-6-18-14(7-10)19-20/h3-9,17,20H,16H2,1-2H3,(H,18,19)/b17-15+
InChIKeyANJCMSXEJDCKQL-BMRADRMJSA-N
XLogP2.67
TPSA104.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium [4-[[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]carbamoyl]-2-pyridinyl]-methanimidoylazanide
CID 144697880
2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282
molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 144697556
2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline
CID 166765017
(NZ)-N-[1-[4-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]piperazin-1-yl]-1-iminopropan-2-ylidene]hydroxylamine
CID 144697636
2-[2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123733970
4-propan-2-yloxy-2-(6-pyrrolidin-1-ylpyrimidine-4-carboximidoyl)aniline
CID 123143355
N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide
CID 174180011
4-ethoxy-2-[2-(3-methoxyazetidin-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697647
4-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]morpholine-2,2,3,3,5,5,6,6-octol
CID 144694597
methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
CID 139566238

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine?
The IUPAC name of N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine (CID 144697614) is N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine.
What is the SMILES notation for N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine?
The canonical SMILES for N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine is [H]/N=C(\c1ccnc(NO)c1)c1cc(OC(C)C)ccc1N.
What is the InChIKey of N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine?
The InChIKey is ANJCMSXEJDCKQL-BMRADRMJSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9(2)21-11-3-4-13(16)12(8-11)15(17)10-5-6-18-14(7-10)19-20/h3-9,17,20H,16H2,1-2H3,(H,18,19)/b17-15+.
What are the key properties of N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine?
N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine has a molecular weight of 286.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine is sourced from PubChem (CID 144697614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).