N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide

C24H20N4O2 — CID 39678341

IUPACN-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C24H20N4O2/c29-23(16-18-6-8-22(9-7-18)28-14-1-2-15-28)26-20-4-3-5-21(17-20)27-24(30)19-10-12-25-13-11-19/h1-15,17H,16H2,(H,26,29)(H,27,30)
InChIKeyGGFWLMHTORRBIU-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.31
Rot. Bonds6

About N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide

N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 39678341) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID39678341
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C24H20N4O2/c29-23(16-18-6-8-22(9-7-18)28-14-1-2-15-28)26-20-4-3-5-21(17-20)27-24(30)19-10-12-25-13-11-19/h1-15,17H,16H2,(H,26,29)(H,27,30)
InChIKeyGGFWLMHTORRBIU-UHFFFAOYSA-N
XLogP4.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide
CID 46402705
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CID 31910662
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 3450934
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 52668609
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296
N-[3-(naphthalene-1-carbonylamino)phenyl]pyridine-4-carboxamide
CID 55610557
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
N-(3-acetamidophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119477
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 108924009

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide (CID 39678341) is N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide is O=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is GGFWLMHTORRBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-23(16-18-6-8-22(9-7-18)28-14-1-2-15-28)26-20-4-3-5-21(17-20)27-24(30)19-10-12-25-13-11-19/h1-15,17H,16H2,(H,26,29)(H,27,30).
What are the key properties of N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide?
N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 39678341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).