2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine

C11H11N5O2 — CID 47235500

IUPAC2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine
SMILESCNc1ccc(Nc2ccc([N+](=O)[O-])cn2)cn1
InChIInChI=1S/C11H11N5O2/c1-12-10-4-2-8(6-13-10)15-11-5-3-9(7-14-11)16(17)18/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeyNCUMVALQMQRFNX-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.17
Rot. Bonds4

About 2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine

2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine (PubChem CID 47235500) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine
PubChem CID47235500
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine
SMILESCNc1ccc(Nc2ccc([N+](=O)[O-])cn2)cn1
InChIInChI=1S/C11H11N5O2/c1-12-10-4-2-8(6-13-10)15-11-5-3-9(7-14-11)16(17)18/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeyNCUMVALQMQRFNX-UHFFFAOYSA-N
XLogP2.17
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
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-(4-fluorophenyl)-5-nitropyridin-2-amine
CID 3146297
2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 71983733
4-[(5-nitro-2-pyridinyl)amino]benzoic acid
CID 2842438
methyl (2S)-2-[4-[(5-nitro-2-pyridinyl)amino]phenyl]propanoate
CID 125466945
2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine
CID 133389276
1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate
CID 175390185
N-[4-(1-adamantyl)phenyl]-5-nitropyridin-2-amine
CID 4764010
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
3-[(5-nitro-2-pyridinyl)amino]benzoic acid
CID 2858481
4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine
CID 71500752
N-(5-nitro-2-pyridinyl)formamide
CID 91754326
[(1S)-1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl] N-tert-butylcarbamate
CID 175390180

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine (CID 47235500) is 2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine is CNc1ccc(Nc2ccc([N+](=O)[O-])cn2)cn1.
What is the InChIKey of 2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine?
The InChIKey is NCUMVALQMQRFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-12-10-4-2-8(6-13-10)15-11-5-3-9(7-14-11)16(17)18/h2-7H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine?
2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine has a molecular weight of 245.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine is sourced from PubChem (CID 47235500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).