4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine

C12H19N3O2 — CID 57151190

IUPAC4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine
SMILESCCCCCNc1nc(C)cc(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N3O2/c1-4-5-6-7-13-12-11(15(16)17)9(2)8-10(3)14-12/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyOKPMHBLYPZZBGM-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.21
Rot. Bonds6

About 4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine

4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine (PubChem CID 57151190) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine
PubChem CID57151190
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine
SMILESCCCCCNc1nc(C)cc(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N3O2/c1-4-5-6-7-13-12-11(15(16)17)9(2)8-10(3)14-12/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyOKPMHBLYPZZBGM-UHFFFAOYSA-N
XLogP3.21
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
5-nitro-4-N,6-N-dipentylpyrimidine-4,6-diamine
CID 4072396
4-N-hexyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 114044764
6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82454684
6-chloro-2-ethyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82458956
6-butoxy-2-ethyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82455060
6-chloro-N-hexyl-5-nitro-2-propylpyrimidin-4-amine
CID 82459060
2-methyl-5-nitro-N-octylaniline
CID 43718449
N-heptyl-2-methyl-5-nitroaniline
CID 43718518
2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678719
4,6-dichloro-5-nitro-N-pentylpyrimidin-2-amine
CID 87963286
6-ethoxy-N-hexyl-5-nitro-2-propylpyrimidin-4-amine
CID 82454885

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine?
The IUPAC name of 4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine (CID 57151190) is 4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine.
What is the SMILES notation for 4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine?
The canonical SMILES for 4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine is CCCCCNc1nc(C)cc(C)c1[N+](=O)[O-].
What is the InChIKey of 4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine?
The InChIKey is OKPMHBLYPZZBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-5-6-7-13-12-11(15(16)17)9(2)8-10(3)14-12/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine?
4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine has a molecular weight of 237.30 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine is sourced from PubChem (CID 57151190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).