6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine

C19H17N7O2 — CID 67995453

IUPAC6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine
SMILESCCN(c1ccccn1)c1ccc([N+](=O)[O-])c(Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C19H17N7O2/c1-2-25(17-5-3-4-10-20-17)18-9-8-16(26(27)28)19(23-18)22-14-7-6-13-12-21-24-15(13)11-14/h3-12H,2H2,1H3,(H,21,24)(H,22,23)
InChIKeyHPTLAHJEJOBTCF-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.16
Rot. Bonds6

About 6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine

6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine (PubChem CID 67995453) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine
PubChem CID67995453
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine
SMILESCCN(c1ccccn1)c1ccc([N+](=O)[O-])c(Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C19H17N7O2/c1-2-25(17-5-3-4-10-20-17)18-9-8-16(26(27)28)19(23-18)22-14-7-6-13-12-21-24-15(13)11-14/h3-12H,2H2,1H3,(H,21,24)(H,22,23)
InChIKeyHPTLAHJEJOBTCF-UHFFFAOYSA-N
XLogP4.16
TPSA112.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine (CID 67995453) is 6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine is CCN(c1ccccn1)c1ccc([N+](=O)[O-])c(Nc2ccc3cn[nH]c3c2)n1.
What is the InChIKey of 6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine?
The InChIKey is HPTLAHJEJOBTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-2-25(17-5-3-4-10-20-17)18-9-8-16(26(27)28)19(23-18)22-14-7-6-13-12-21-24-15(13)11-14/h3-12H,2H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine?
6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine has a molecular weight of 375.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(1H-indazol-6-yl)-3-nitro-6-N-pyridin-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 67995453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).