N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine

C20H23N3O4 — CID 133473473

IUPACN-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC2CCOC(C3CC3)C2)nc1OCc1ccccc1
InChIInChI=1S/C20H23N3O4/c24-23(25)17-8-9-19(21-16-10-11-26-18(12-16)15-6-7-15)22-20(17)27-13-14-4-2-1-3-5-14/h1-5,8-9,15-16,18H,6-7,10-13H2,(H,21,22)
InChIKeyNHSGSPHFWXVNFF-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.94
Rot. Bonds7

About N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine

N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine (PubChem CID 133473473) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine
PubChem CID133473473
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC2CCOC(C3CC3)C2)nc1OCc1ccccc1
InChIInChI=1S/C20H23N3O4/c24-23(25)17-8-9-19(21-16-10-11-26-18(12-16)15-6-7-15)22-20(17)27-13-14-4-2-1-3-5-14/h1-5,8-9,15-16,18H,6-7,10-13H2,(H,21,22)
InChIKeyNHSGSPHFWXVNFF-UHFFFAOYSA-N
XLogP3.94
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine
CID 133473708
6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440404
5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
CID 80845026
N-(2-cyclopropyloxan-4-yl)pyridin-2-amine
CID 133473667
5-nitro-6-phenylmethoxypyridine-2-carboxylic acid
CID 22565263
2-[(2-cyclopropyloxan-4-yl)amino]-6-nitroquinoline-4-carbonitrile
CID 133473613
2-cyclopropyl-N-(4-iodo-2-nitrophenyl)oxan-4-amine
CID 133473641
3-bromo-N-(2-cyclopropyloxan-4-yl)-5-nitropyridin-4-amine
CID 133473697
methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate
CID 133473769
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124845954
N-(2-cyclopropyloxolan-3-yl)-6-methyl-5-nitropyridin-2-amine
CID 103864059
N-(2-cyclopropyloxan-4-yl)-2-methyl-6-nitroquinolin-4-amine
CID 133473539

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine?
The IUPAC name of N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine (CID 133473473) is N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine.
What is the SMILES notation for N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine?
The canonical SMILES for N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine is O=[N+]([O-])c1ccc(NC2CCOC(C3CC3)C2)nc1OCc1ccccc1.
What is the InChIKey of N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine?
The InChIKey is NHSGSPHFWXVNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-23(25)17-8-9-19(21-16-10-11-26-18(12-16)15-6-7-15)22-20(17)27-13-14-4-2-1-3-5-14/h1-5,8-9,15-16,18H,6-7,10-13H2,(H,21,22).
What are the key properties of N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine?
N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine has a molecular weight of 369.42 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 133473473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).