N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine

C12H17N3O3 — CID 103764632

IUPACN-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
SMILESCc1nc(NCCOCC2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-9-11(15(16)17)4-5-12(14-9)13-6-7-18-8-10-2-3-10/h4-5,10H,2-3,6-8H2,1H3,(H,13,14)
InChIKeyCJNUGOQWXYMALB-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.14
Rot. Bonds7

About N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine

N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine (PubChem CID 103764632) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
PubChem CID103764632
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
SMILESCc1nc(NCCOCC2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-9-11(15(16)17)4-5-12(14-9)13-6-7-18-8-10-2-3-10/h4-5,10H,2-3,6-8H2,1H3,(H,13,14)
InChIKeyCJNUGOQWXYMALB-UHFFFAOYSA-N
XLogP2.14
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198
6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 82944671
N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine
CID 103779538
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 115696993
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 80718009
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine
CID 103888650
N-[2-(cyclopropylmethoxy)ethyl]-3-ethoxy-4-nitroaniline
CID 103731175
6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 75426721
N-[3-(cyclopropylmethoxy)propyl]-4-methyl-2-nitroaniline
CID 103720881
6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103764691

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine (CID 103764632) is N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine is Cc1nc(NCCOCC2CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine?
The InChIKey is CJNUGOQWXYMALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-11(15(16)17)4-5-12(14-9)13-6-7-18-8-10-2-3-10/h4-5,10H,2-3,6-8H2,1H3,(H,13,14).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine?
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 103764632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).