5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine

C12H19N3O3 — CID 83266664

IUPAC5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine
SMILESCCCOCCCNc1cc([N+](=O)[O-])c(C)cn1
InChIInChI=1S/C12H19N3O3/c1-3-6-18-7-4-5-13-12-8-11(15(16)17)10(2)9-14-12/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyUJKNJPDASWKMSZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.53
Rot. Bonds8

About 5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine

5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine (PubChem CID 83266664) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine
PubChem CID83266664
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine
SMILESCCCOCCCNc1cc([N+](=O)[O-])c(C)cn1
InChIInChI=1S/C12H19N3O3/c1-3-6-18-7-4-5-13-12-8-11(15(16)17)10(2)9-14-12/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyUJKNJPDASWKMSZ-UHFFFAOYSA-N
XLogP2.53
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.53
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)-5-methyl-4-nitropyridin-2-amine
CID 83269938
5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine
CID 83266871
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 82944671
5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine
CID 107816181
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 83268563
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 83267804
4-methyl-N-[3-(2-methylphenoxy)propyl]-5-nitropyridin-2-amine
CID 133329317
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 83267358
N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide
CID 83268573

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine?
The IUPAC name of 5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine (CID 83266664) is 5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine?
The canonical SMILES for 5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine is CCCOCCCNc1cc([N+](=O)[O-])c(C)cn1.
What is the InChIKey of 5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine?
The InChIKey is UJKNJPDASWKMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-6-18-7-4-5-13-12-8-11(15(16)17)10(2)9-14-12/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine?
5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine has a molecular weight of 253.30 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine is sourced from PubChem (CID 83266664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).