N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide

C17H16N6O3 — CID 153385762

IUPACN-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1cc[nH]c1)NC(=O)c1cncn1-c1ccccn1
InChIInChI=1S/C17H16N6O3/c18-16(25)15(24)12(7-11-4-6-19-8-11)22-17(26)13-9-20-10-23(13)14-3-1-2-5-21-14/h1-6,8-10,12,19H,7H2,(H2,18,25)(H,22,26)
InChIKeyGJJCAHVNFLBIBT-UHFFFAOYSA-N
MW352.35 g/mol
LogP-0.01
Rot. Bonds7

About N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide

N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide (PubChem CID 153385762) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
PubChem CID153385762
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC NameN-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1cc[nH]c1)NC(=O)c1cncn1-c1ccccn1
InChIInChI=1S/C17H16N6O3/c18-16(25)15(24)12(7-11-4-6-19-8-11)22-17(26)13-9-20-10-23(13)14-3-1-2-5-21-14/h1-6,8-10,12,19H,7H2,(H2,18,25)(H,22,26)
InChIKeyGJJCAHVNFLBIBT-UHFFFAOYSA-N
XLogP-0.01
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153386185
N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385782
N-[4-amino-3,4-dioxo-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153386083
N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153386313
N-[4-amino-3,4-dioxo-1-(1H-thieno[3,4-b]pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385834
N-[4-amino-1-(5-hydroxycyclopenta-1,3-dien-1-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385262
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridazin-3-ylimidazole-4-carboxamide
CID 152805159
N-[4-amino-1-(1-benzothiophen-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385622
N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide
CID 153484099
N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 134396793
N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 162146910
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385592

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?
The IUPAC name of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide (CID 153385762) is N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide is NC(=O)C(=O)C(Cc1cc[nH]c1)NC(=O)c1cncn1-c1ccccn1.
What is the InChIKey of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?
The InChIKey is GJJCAHVNFLBIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c18-16(25)15(24)12(7-11-4-6-19-8-11)22-17(26)13-9-20-10-23(13)14-3-1-2-5-21-14/h1-6,8-10,12,19H,7H2,(H2,18,25)(H,22,26).
What are the key properties of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide has a molecular weight of 352.35 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 153385762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).