N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide

C23H24N4O3 — CID 10092620

IUPACN-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NCCN(C)C
InChIInChI=1S/C23H24N4O3/c1-16-22(23(28)24-13-14-26(2)3)20(17-9-11-19(12-10-17)27(29)30)15-21(25-16)18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,24,28)
InChIKeyBORMWIUHIZGXCZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.92
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide (PubChem CID 10092620) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide
PubChem CID10092620
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NCCN(C)C
InChIInChI=1S/C23H24N4O3/c1-16-22(23(28)24-13-14-26(2)3)20(17-9-11-19(12-10-17)27(29)30)15-21(25-16)18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,24,28)
InChIKeyBORMWIUHIZGXCZ-UHFFFAOYSA-N
XLogP3.92
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[2-(dimethylamino)ethyl]-4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxamide
CID 10319094
but-2-enedioic acid;N-[2-(dimethylamino)ethyl]-4-methyl-6-(4-nitrophenyl)-2-phenylpyrimidine-5-carboxamide
CID 70354028
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
ethyl 2-methyl-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxylate
CID 10248079
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
CID 11450091
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 5254174
but-2-enedioic acid;N',N'-dimethyl-N-[[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 70354446
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383
N-[2-(dimethylamino)ethyl]-2-phenylbenzo[h]quinoline-4-carboxamide
CID 155517784
N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide
CID 10134914

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide (CID 10092620) is N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide?
The InChIKey is BORMWIUHIZGXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-22(23(28)24-13-14-26(2)3)20(17-9-11-19(12-10-17)27(29)30)15-21(25-16)18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 10092620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).