N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine

C14H15N3O3 — CID 167459315

IUPACN,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])ccc1Oc1ccc(N(C)C)nc1
InChIInChI=1S/C14H15N3O3/c1-10-8-11(17(18)19)4-6-13(10)20-12-5-7-14(15-9-12)16(2)3/h4-9H,1-3H3
InChIKeyHMRZCYHOLIYPKQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.16
Rot. Bonds4

About N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine

N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine (PubChem CID 167459315) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine
PubChem CID167459315
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])ccc1Oc1ccc(N(C)C)nc1
InChIInChI=1S/C14H15N3O3/c1-10-8-11(17(18)19)4-6-13(10)20-12-5-7-14(15-9-12)16(2)3/h4-9H,1-3H3
InChIKeyHMRZCYHOLIYPKQ-UHFFFAOYSA-N
XLogP3.16
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol
CID 69259295
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
CID 155663614
amino-[4-(2-methyl-4-nitrophenoxy)-2-pyridinyl]carbamic acid
CID 174556870
[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid
CID 69143527
3-methyl-5-(2-methyl-4-nitrophenoxy)phenol
CID 107680644
(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83124262
2-chloro-5-(2-methyl-4-nitrophenoxy)benzoic acid
CID 106502842
N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83110470
2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine
CID 80878884
5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine
CID 162431890
6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine
CID 113369611
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine (CID 167459315) is N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine is Cc1cc([N+](=O)[O-])ccc1Oc1ccc(N(C)C)nc1.
What is the InChIKey of N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine?
The InChIKey is HMRZCYHOLIYPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-8-11(17(18)19)4-6-13(10)20-12-5-7-14(15-9-12)16(2)3/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine?
N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine is sourced from PubChem (CID 167459315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).