N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine

C13H15N5O2 — CID 75458616

IUPACN-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine
SMILESCc1ccnc(N(C)Cc2ccc(N)nc2)c1[N+](=O)[O-]
InChIInChI=1S/C13H15N5O2/c1-9-5-6-15-13(12(9)18(19)20)17(2)8-10-3-4-11(14)16-7-10/h3-7H,8H2,1-2H3,(H2,14,16)
InChIKeyIELUJCGJXXXPGR-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.91
Rot. Bonds4

About N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine

N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine (PubChem CID 75458616) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine
PubChem CID75458616
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine
SMILESCc1ccnc(N(C)Cc2ccc(N)nc2)c1[N+](=O)[O-]
InChIInChI=1S/C13H15N5O2/c1-9-5-6-15-13(12(9)18(19)20)17(2)8-10-3-4-11(14)16-7-10/h3-7H,8H2,1-2H3,(H2,14,16)
InChIKeyIELUJCGJXXXPGR-UHFFFAOYSA-N
XLogP1.91
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine (CID 75458616) is N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine is Cc1ccnc(N(C)Cc2ccc(N)nc2)c1[N+](=O)[O-].
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine?
The InChIKey is IELUJCGJXXXPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-5-6-15-13(12(9)18(19)20)17(2)8-10-3-4-11(14)16-7-10/h3-7H,8H2,1-2H3,(H2,14,16).
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine?
N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine is sourced from PubChem (CID 75458616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).