4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide

C24H19N5O2 — CID 142689499

IUPAC4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(C#N)cc1)N(C(=O)c1ccc(C#N)cc1)c1ccccn1
InChIInChI=1S/C24H19N5O2/c1-2-21(28-23(30)19-10-6-17(15-25)7-11-19)29(22-5-3-4-14-27-22)24(31)20-12-8-18(16-26)9-13-20/h3-14,21H,2H2,1H3,(H,28,30)/t21-/m1/s1
InChIKeyWVXDGYBWXWXWMY-OAQYLSRUSA-N
MW409.45 g/mol
LogP3.64
Rot. Bonds6

About 4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide

4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide (PubChem CID 142689499) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide
PubChem CID142689499
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(C#N)cc1)N(C(=O)c1ccc(C#N)cc1)c1ccccn1
InChIInChI=1S/C24H19N5O2/c1-2-21(28-23(30)19-10-6-17(15-25)7-11-19)29(22-5-3-4-14-27-22)24(31)20-12-8-18(16-26)9-13-20/h3-14,21H,2H2,1H3,(H,28,30)/t21-/m1/s1
InChIKeyWVXDGYBWXWXWMY-OAQYLSRUSA-N
XLogP3.64
TPSA109.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide with MolForge

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Related Compounds

4-cyano-N-[1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbenzamide
CID 69456111
methyl 2-[(4-cyanobenzoyl)amino]butanoate
CID 113252769
4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 91440947
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide
CID 101492596
4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115679309
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
benzamidomethyl(triethyl)phosphanium thiocyanate
CID 71397985
N-(1-bromopropan-2-yl)-4-cyanobenzamide
CID 114310444
4-cyano-N-(2,2-diethoxyethyl)benzamide
CID 78909770

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide?
The IUPAC name of 4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide (CID 142689499) is 4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide is CC[C@H](NC(=O)c1ccc(C#N)cc1)N(C(=O)c1ccc(C#N)cc1)c1ccccn1.
What is the InChIKey of 4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide?
The InChIKey is WVXDGYBWXWXWMY-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-2-21(28-23(30)19-10-6-17(15-25)7-11-19)29(22-5-3-4-14-27-22)24(31)20-12-8-18(16-26)9-13-20/h3-14,21H,2H2,1H3,(H,28,30)/t21-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide?
4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide has a molecular weight of 409.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide is sourced from PubChem (CID 142689499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).