2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine

C14H13N3O2 — CID 115593125

IUPAC2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ncccc1NC1CC1c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-17(19)14-12(7-4-8-15-14)16-13-9-11(13)10-5-2-1-3-6-10/h1-8,11,13,16H,9H2
InChIKeyRIAHKEAYLUVIFB-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.96
Rot. Bonds4

About 2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine

2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine (PubChem CID 115593125) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine.

Molecular Properties

Compound Name2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine
PubChem CID115593125
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ncccc1NC1CC1c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-17(19)14-12(7-4-8-15-14)16-13-9-11(13)10-5-2-1-3-6-10/h1-8,11,13,16H,9H2
InChIKeyRIAHKEAYLUVIFB-UHFFFAOYSA-N
XLogP2.96
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
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-(3,5-dimethylcyclohexyl)-2-nitropyridin-3-amine
CID 112692570
3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine
CID 62476705
6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 80902156
N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine
CID 114695322
N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine
CID 113224726
2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline
CID 66095333
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
CID 115586099
N-methyl-2-nitropyridin-3-amine
CID 555983
N-(2-nitro-3-pyridinyl)azepan-3-amine
CID 113424918
4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide
CID 112690479
N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine
CID 138677813

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine?
The IUPAC name of 2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine (CID 115593125) is 2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine.
What is the SMILES notation for 2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine?
The canonical SMILES for 2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine is O=[N+]([O-])c1ncccc1NC1CC1c1ccccc1.
What is the InChIKey of 2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine?
The InChIKey is RIAHKEAYLUVIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-17(19)14-12(7-4-8-15-14)16-13-9-11(13)10-5-2-1-3-6-10/h1-8,11,13,16H,9H2.
What are the key properties of 2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine?
2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine has a molecular weight of 255.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine is sourced from PubChem (CID 115593125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).