N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine

C16H17N3O2 — CID 82453445

IUPACN-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1nc(-c2cccc([N+](=O)[O-])c2)ccc1CNC1CC1
InChIInChI=1S/C16H17N3O2/c1-11-13(10-17-14-6-7-14)5-8-16(18-11)12-3-2-4-15(9-12)19(20)21/h2-5,8-9,14,17H,6-7,10H2,1H3
InChIKeyXMYXNNSIRQSLCM-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.22
Rot. Bonds5

About N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine

N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 82453445) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID82453445
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1nc(-c2cccc([N+](=O)[O-])c2)ccc1CNC1CC1
InChIInChI=1S/C16H17N3O2/c1-11-13(10-17-14-6-7-14)5-8-16(18-11)12-3-2-4-15(9-12)19(20)21/h2-5,8-9,14,17H,6-7,10H2,1H3
InChIKeyXMYXNNSIRQSLCM-UHFFFAOYSA-N
XLogP3.22
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.22
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

[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methanethiol
CID 82453456
N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60841957
N-[[5-chloro-2-(3-nitrophenyl)phenyl]methyl]cyclopropanamine
CID 66160692
N-[[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065625
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 60835770
4-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 28615203
ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
CID 115917495
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
N-[(2,4-dinitrophenyl)methyl]cyclohexanamine
CID 66223052
N-[[3-(3-nitrophenoxy)phenyl]methyl]cyclopropanamine
CID 63942130
N-[2-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62164852
[4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine
CID 82192470

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine (CID 82453445) is N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine is Cc1nc(-c2cccc([N+](=O)[O-])c2)ccc1CNC1CC1.
What is the InChIKey of N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is XMYXNNSIRQSLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-13(10-17-14-6-7-14)5-8-16(18-11)12-3-2-4-15(9-12)19(20)21/h2-5,8-9,14,17H,6-7,10H2,1H3.
What are the key properties of N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 283.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 82453445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).