N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide

C20H18N4O3 — CID 133409032

IUPACN-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1
InChIInChI=1S/C20H18N4O3/c1-21-20(25)16-9-5-6-14(12-16)13-22-18-11-10-17(24(26)27)19(23-18)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyBNFKNKIPVRJXGY-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.63
Rot. Bonds6

About N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide

N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide (PubChem CID 133409032) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide
PubChem CID133409032
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1
InChIInChI=1S/C20H18N4O3/c1-21-20(25)16-9-5-6-14(12-16)13-22-18-11-10-17(24(26)27)19(23-18)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyBNFKNKIPVRJXGY-UHFFFAOYSA-N
XLogP3.63
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
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

4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 133407312
N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide
CID 133407553
4-(benzylamino)-N-methyl-3-nitrobenzamide
CID 78906795
2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133407596
N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
CID 171673970
5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
CID 133409271
3-[(3-methyl-4-nitroanilino)methyl]benzoic acid
CID 60893894
N-[2-[[6-[(3-bromophenyl)methylamino]-3-nitro-2-pyridinyl]amino]ethyl]acetamide
CID 66838435
3-nitro-6-N-[(3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 79826302
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide
CID 50983438
N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide
CID 78969725
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine
CID 133459077

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide (CID 133409032) is N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide is CNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1.
What is the InChIKey of N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide?
The InChIKey is BNFKNKIPVRJXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-21-20(25)16-9-5-6-14(12-16)13-22-18-11-10-17(24(26)27)19(23-18)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide?
N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide has a molecular weight of 362.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide is sourced from PubChem (CID 133409032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).