N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide

C24H22N3O2PS — CID 143614084

IUPACN-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide
SMILESCOP(Cc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cn1)c1ccccc1
InChIInChI=1S/C24H22N3O2PS/c1-29-30(21-5-3-2-4-6-21)15-20-9-7-18(14-26-20)24(28)27-23-13-17(8-10-22(23)25)19-11-12-31-16-19/h2-14,16H,15,25H2,1H3,(H,27,28)
InChIKeyJLMDZOZSOMFDMN-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.51
Rot. Bonds7

About N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide

N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide (PubChem CID 143614084) has the molecular formula C24H22N3O2PS and a molecular weight of 447.50 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide
PubChem CID143614084
Molecular FormulaC24H22N3O2PS
Molecular Weight447.50 g/mol
Exact Mass447.12
IUPAC NameN-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide
SMILESCOP(Cc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cn1)c1ccccc1
InChIInChI=1S/C24H22N3O2PS/c1-29-30(21-5-3-2-4-6-21)15-20-9-7-18(14-26-20)24(28)27-23-13-17(8-10-22(23)25)19-11-12-31-16-19/h2-14,16H,15,25H2,1H3,(H,27,28)
InChIKeyJLMDZOZSOMFDMN-UHFFFAOYSA-N
XLogP5.51
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide
CID 68725610
[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate
CID 69101275
4-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]butanoic acid
CID 158119892
N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 24947107
2-(dimethylamino)ethyl N-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]carbamate
CID 69101191
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-(methylamino)-1-oxopropan-2-yl]-benzylcarbamic acid
CID 24753578
N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 24753767
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-oxo-1-(propylamino)propan-2-yl]carbamic acid
CID 67497874
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[6-(2-methoxyethoxymethyl)-3-pyridinyl]sulfonimidoyl]benzamide
CID 168792521
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide (CID 143614084) is N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide is COP(Cc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cn1)c1ccccc1.
What is the InChIKey of N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide?
The InChIKey is JLMDZOZSOMFDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N3O2PS/c1-29-30(21-5-3-2-4-6-21)15-20-9-7-18(14-26-20)24(28)27-23-13-17(8-10-22(23)25)19-11-12-31-16-19/h2-14,16H,15,25H2,1H3,(H,27,28).
What are the key properties of N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide?
N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 143614084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).