N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide

C21H22N4O — CID 126722801

IUPACN-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2cc(-c3ccccn3)ccc2N)cc1
InChIInChI=1S/C21H22N4O/c1-25(2)14-15-6-8-16(9-7-15)21(26)24-20-13-17(10-11-18(20)22)19-5-3-4-12-23-19/h3-13H,14,22H2,1-2H3,(H,24,26)
InChIKeyAOYQUXWQRCEFJH-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.64
Rot. Bonds5

About N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide

N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide (PubChem CID 126722801) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide
PubChem CID126722801
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2cc(-c3ccccn3)ccc2N)cc1
InChIInChI=1S/C21H22N4O/c1-25(2)14-15-6-8-16(9-7-15)21(26)24-20-13-17(10-11-18(20)22)19-5-3-4-12-23-19/h3-13H,14,22H2,1-2H3,(H,24,26)
InChIKeyAOYQUXWQRCEFJH-UHFFFAOYSA-N
XLogP3.64
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-(2-amino-5-fluorophenyl)-4-[(1S)-1-[3-[4-[(dimethylamino)methyl]phenyl]-6-oxopyridazin-1-yl]ethyl]benzamide
CID 167225940
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
N-(3,5-dimethylphenyl)-4-pyridin-2-ylbenzamide
CID 143032339
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039
N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide
CID 143614079
N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide
CID 144544551
[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-2-ylmethyl)carbamic acid
CID 68779859
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
CID 25158263

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide?
The IUPAC name of N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide (CID 126722801) is N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide?
The canonical SMILES for N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide is CN(C)Cc1ccc(C(=O)Nc2cc(-c3ccccn3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide?
The InChIKey is AOYQUXWQRCEFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-25(2)14-15-6-8-16(9-7-15)21(26)24-20-13-17(10-11-18(20)22)19-5-3-4-12-23-19/h3-13H,14,22H2,1-2H3,(H,24,26).
What are the key properties of N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide?
N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 126722801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).