6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine

C17H22N6O4 — CID 139760813

IUPAC6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine
SMILESCc1cc(CCCCCc2cc(C)c([N+](=O)[O-])c(N)n2)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C17H22N6O4/c1-10-8-12(20-16(18)14(10)22(24)25)6-4-3-5-7-13-9-11(2)15(23(26)27)17(19)21-13/h8-9H,3-7H2,1-2H3,(H2,18,20)(H2,19,21)
InChIKeyJULGLTYKEFAMEY-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.03
Rot. Bonds8

About 6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine

6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine (PubChem CID 139760813) has the molecular formula C17H22N6O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine
PubChem CID139760813
Molecular FormulaC17H22N6O4
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine
SMILESCc1cc(CCCCCc2cc(C)c([N+](=O)[O-])c(N)n2)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C17H22N6O4/c1-10-8-12(20-16(18)14(10)22(24)25)6-4-3-5-7-13-9-11(2)15(23(26)27)17(19)21-13/h8-9H,3-7H2,1-2H3,(H2,18,20)(H2,19,21)
InChIKeyJULGLTYKEFAMEY-UHFFFAOYSA-N
XLogP3.03
TPSA164.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine?
The IUPAC name of 6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine (CID 139760813) is 6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine?
The canonical SMILES for 6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine is Cc1cc(CCCCCc2cc(C)c([N+](=O)[O-])c(N)n2)nc(N)c1[N+](=O)[O-].
What is the InChIKey of 6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine?
The InChIKey is JULGLTYKEFAMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O4/c1-10-8-12(20-16(18)14(10)22(24)25)6-4-3-5-7-13-9-11(2)15(23(26)27)17(19)21-13/h8-9H,3-7H2,1-2H3,(H2,18,20)(H2,19,21).
What are the key properties of 6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine?
6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine has a molecular weight of 374.40 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 139760813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).