N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide

C19H19N5O3 — CID 153386322

IUPACN-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]cc(C(=O)NC(Cc2cc[nH]c2)C(=O)C(N)=O)c1-c1ccccn1
InChIInChI=1S/C19H19N5O3/c1-11-16(14-4-2-3-6-22-14)13(10-23-11)19(27)24-15(17(25)18(20)26)8-12-5-7-21-9-12/h2-7,9-10,15,21,23H,8H2,1H3,(H2,20,26)(H,24,27)
InChIKeyOOJKEPGEVKGOGZ-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.11
Rot. Bonds7

About N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide

N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide (PubChem CID 153386322) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
PubChem CID153386322
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]cc(C(=O)NC(Cc2cc[nH]c2)C(=O)C(N)=O)c1-c1ccccn1
InChIInChI=1S/C19H19N5O3/c1-11-16(14-4-2-3-6-22-14)13(10-23-11)19(27)24-15(17(25)18(20)26)8-12-5-7-21-9-12/h2-7,9-10,15,21,23H,8H2,1H3,(H2,20,26)(H,24,27)
InChIKeyOOJKEPGEVKGOGZ-UHFFFAOYSA-N
XLogP1.11
TPSA133.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 146702892
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 153484119
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385762
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide
CID 149188122
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide
CID 153484047
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 153483969
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-3-methyl-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153385251
N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153386267
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 148993865
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 153385966
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 147899427
N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 148741054

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide (CID 153386322) is N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide is Cc1[nH]cc(C(=O)NC(Cc2cc[nH]c2)C(=O)C(N)=O)c1-c1ccccn1.
What is the InChIKey of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide?
The InChIKey is OOJKEPGEVKGOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-11-16(14-4-2-3-6-22-14)13(10-23-11)19(27)24-15(17(25)18(20)26)8-12-5-7-21-9-12/h2-7,9-10,15,21,23H,8H2,1H3,(H2,20,26)(H,24,27).
What are the key properties of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide?
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.11, 7 rotatable bonds, 4 hydrogen bond donors, and 4 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]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 153386322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).