N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine

C17H19N3O4 — CID 133459077

IUPACN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine
SMILESCC1(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)OCCO1
InChIInChI=1S/C17H19N3O4/c1-17(23-11-12-24-17)9-10-18-15-8-7-14(20(21)22)16(19-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,18,19)
InChIKeyJAVHLUILSBZROL-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine (PubChem CID 133459077) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine
PubChem CID133459077
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine
SMILESCC1(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)OCCO1
InChIInChI=1S/C17H19N3O4/c1-17(23-11-12-24-17)9-10-18-15-8-7-14(20(21)22)16(19-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,18,19)
InChIKeyJAVHLUILSBZROL-UHFFFAOYSA-N
XLogP3.22
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.22
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-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide
CID 133407553
1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone
CID 133409481
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
CID 133459148
4-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-nitroaniline
CID 133459032
2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-6-nitroquinoline-4-carbonitrile
CID 133459187
6-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133459088
4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 133407312
2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133407596
5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine
CID 133408928
3-(difluoromethoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-nitroaniline
CID 133459069
5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
CID 133409271
N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide
CID 133409032

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine?
The IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine (CID 133459077) is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine is CC1(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)OCCO1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine?
The InChIKey is JAVHLUILSBZROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-17(23-11-12-24-17)9-10-18-15-8-7-14(20(21)22)16(19-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine?
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine has a molecular weight of 329.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine is sourced from PubChem (CID 133459077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).