6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine

C14H17N5O2 — CID 80774376

IUPAC6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(N(C)Cc2ccncc2)n1
InChIInChI=1S/C14H17N5O2/c1-3-16-13-5-4-12(19(20)21)14(17-13)18(2)10-11-6-8-15-9-7-11/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyNTXXCZUZWLSAPR-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.45
Rot. Bonds6

About 6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine

6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine (PubChem CID 80774376) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
PubChem CID80774376
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(N(C)Cc2ccncc2)n1
InChIInChI=1S/C14H17N5O2/c1-3-16-13-5-4-12(19(20)21)14(17-13)18(2)10-11-6-8-15-9-7-11/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyNTXXCZUZWLSAPR-UHFFFAOYSA-N
XLogP2.45
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80782981
2-N-butan-2-yl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80774148
2-N-[(4-bromophenyl)methyl]-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80777619
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80856654
2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
CID 80796707
6-N-ethyl-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-3-nitropyridine-2,6-diamine
CID 112667980
2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80761700
6-N-ethyl-2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
CID 80788382
2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80788368
1-N-methyl-4-nitro-1-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 106751455
N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine
CID 80899980
2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine
CID 80787747

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine (CID 80774376) is 6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(N(C)Cc2ccncc2)n1.
What is the InChIKey of 6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine?
The InChIKey is NTXXCZUZWLSAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-16-13-5-4-12(19(20)21)14(17-13)18(2)10-11-6-8-15-9-7-11/h4-9H,3,10H2,1-2H3,(H,16,17).
What are the key properties of 6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine?
6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine has a molecular weight of 287.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80774376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).