N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide

C20H18N4O3 — CID 153385629

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1=CN=CC1c1ccncc1
InChIInChI=1S/C20H18N4O3/c21-19(26)18(25)17(10-13-4-2-1-3-5-13)24-20(27)16-12-23-11-15(16)14-6-8-22-9-7-14/h1-9,11-12,15,17H,10H2,(H2,21,26)(H,24,27)
InChIKeyBIEYWYYBAKILQP-UHFFFAOYSA-N
MW362.39 g/mol
LogP0.92
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide (PubChem CID 153385629) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide
PubChem CID153385629
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1=CN=CC1c1ccncc1
InChIInChI=1S/C20H18N4O3/c21-19(26)18(25)17(10-13-4-2-1-3-5-13)24-20(27)16-12-23-11-15(16)14-6-8-22-9-7-14/h1-9,11-12,15,17H,10H2,(H2,21,26)(H,24,27)
InChIKeyBIEYWYYBAKILQP-UHFFFAOYSA-N
XLogP0.92
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385592
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385922
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide
CID 162475674
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluoro-1-phenylpyrazole-5-carboxamide
CID 142753568
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
CID 134397603
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-4-phenylpyrazole-5-carboxamide
CID 134396938
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
benzyl N-[1-[[1-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 174760143
3-[[3-amino-2-(methyliminomethyl)-3-pyridin-4-ylprop-2-enoyl]amino]-2-oxo-4-phenylbutanamide
CID 167600571
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 134397018

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide (CID 153385629) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide is NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1=CN=CC1c1ccncc1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide?
The InChIKey is BIEYWYYBAKILQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c21-19(26)18(25)17(10-13-4-2-1-3-5-13)24-20(27)16-12-23-11-15(16)14-6-8-22-9-7-14/h1-9,11-12,15,17H,10H2,(H2,21,26)(H,24,27).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide is sourced from PubChem (CID 153385629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).