2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile

C19H14N4O3 — CID 5253696

IUPAC2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)c2C#N)c1
InChIInChI=1S/C19H14N4O3/c1-26-15-4-2-3-13(9-15)16-10-18(22-19(21)17(16)11-20)12-5-7-14(8-6-12)23(24)25/h2-10H,1H3,(H2,21,22)
InChIKeyBNNRNTHKOKXKEZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.79
Rot. Bonds4

About 2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile

2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 5253696) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
PubChem CID5253696
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)c2C#N)c1
InChIInChI=1S/C19H14N4O3/c1-26-15-4-2-3-13(9-15)16-10-18(22-19(21)17(16)11-20)12-5-7-14(8-6-12)23(24)25/h2-10H,1H3,(H2,21,22)
InChIKeyBNNRNTHKOKXKEZ-UHFFFAOYSA-N
XLogP3.79
TPSA115.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.79
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

2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088737
2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5209576
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5120091
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 3485199
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915
2-amino-6-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3369928

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile (CID 5253696) is 2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile is COc1cccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)c2C#N)c1.
What is the InChIKey of 2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is BNNRNTHKOKXKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c1-26-15-4-2-3-13(9-15)16-10-18(22-19(21)17(16)11-20)12-5-7-14(8-6-12)23(24)25/h2-10H,1H3,(H2,21,22).
What are the key properties of 2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile?
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile has a molecular weight of 346.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5253696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).