4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide

C23H21N6OP — CID 170229365

IUPAC4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide
SMILESCN(c1ccncc1)c1ccc(C(=O)Nc2cccc(N(P)c3ccncc3)n2)cc1
InChIInChI=1S/C23H21N6OP/c1-28(19-9-13-24-14-10-19)18-7-5-17(6-8-18)23(30)27-21-3-2-4-22(26-21)29(31)20-11-15-25-16-12-20/h2-16H,31H2,1H3,(H,26,27,30)
InChIKeyGSBBFNCVZVXFGZ-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.82
Rot. Bonds6

About 4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide

4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide (PubChem CID 170229365) has the molecular formula C23H21N6OP and a molecular weight of 428.44 g/mol. Its IUPAC name is 4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide
PubChem CID170229365
Molecular FormulaC23H21N6OP
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Name4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide
SMILESCN(c1ccncc1)c1ccc(C(=O)Nc2cccc(N(P)c3ccncc3)n2)cc1
InChIInChI=1S/C23H21N6OP/c1-28(19-9-13-24-14-10-19)18-7-5-17(6-8-18)23(30)27-21-3-2-4-22(26-21)29(31)20-11-15-25-16-12-20/h2-16H,31H2,1H3,(H,26,27,30)
InChIKeyGSBBFNCVZVXFGZ-UHFFFAOYSA-N
XLogP4.82
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride
CID 66939123
4-fluoro-N-[6-[methyl(piperidin-4-yl)amino]-2-pyridinyl]benzamide
CID 58997364
4-(dimethylamino)-N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532472
N-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylmethoxy)benzamide
CID 36998699
N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide
CID 91076966
4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide
CID 157043653
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide
CID 11329889
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
N-[[4-(N-methylanilino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 5149584

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide?
The IUPAC name of 4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide (CID 170229365) is 4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide?
The canonical SMILES for 4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide is CN(c1ccncc1)c1ccc(C(=O)Nc2cccc(N(P)c3ccncc3)n2)cc1.
What is the InChIKey of 4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide?
The InChIKey is GSBBFNCVZVXFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N6OP/c1-28(19-9-13-24-14-10-19)18-7-5-17(6-8-18)23(30)27-21-3-2-4-22(26-21)29(31)20-11-15-25-16-12-20/h2-16H,31H2,1H3,(H,26,27,30).
What are the key properties of 4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide?
4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide has a molecular weight of 428.44 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-4-yl)amino]-N-[6-[phosphanyl(pyridin-4-yl)amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 170229365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).