N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine

C15H15N3O2 — CID 133397265

IUPACN-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccccc1CN(c1ccccn1)C1CC1
InChIInChI=1S/C15H15N3O2/c19-18(20)14-6-2-1-5-12(14)11-17(13-8-9-13)15-7-3-4-10-16-15/h1-7,10,13H,8-9,11H2
InChIKeyXGFUHAJQWADVPX-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.16
Rot. Bonds5

About N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine

N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine (PubChem CID 133397265) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine
PubChem CID133397265
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccccc1CN(c1ccccn1)C1CC1
InChIInChI=1S/C15H15N3O2/c19-18(20)14-6-2-1-5-12(14)11-17(13-8-9-13)15-7-3-4-10-16-15/h1-7,10,13H,8-9,11H2
InChIKeyXGFUHAJQWADVPX-UHFFFAOYSA-N
XLogP3.16
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397167
5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile
CID 133397299
6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide
CID 133397339
N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine
CID 133397352
N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650499
2-[cyclopropyl(pyridin-2-yl)amino]acetic acid
CID 82372467
3-[cyclopropyl-(3-nitro-2-pyridinyl)amino]propanenitrile
CID 54997173
N-methyl-N-[(2-nitrophenyl)methyl]-1-oxothian-4-amine
CID 75408181
2-[cyclopropyl-[(2-nitrophenyl)methyl]amino]propanoic acid
CID 119994912
N-[(2-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79700162
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 75386873

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The IUPAC name of N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine (CID 133397265) is N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine is O=[N+]([O-])c1ccccc1CN(c1ccccn1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The InChIKey is XGFUHAJQWADVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-18(20)14-6-2-1-5-12(14)11-17(13-8-9-13)15-7-3-4-10-16-15/h1-7,10,13H,8-9,11H2.
What are the key properties of N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine has a molecular weight of 269.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 133397265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).