N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide

C19H22N6O4S — CID 20795798

IUPACN,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide
SMILESCCC(NC1=C(Nc2c[nH]cc(C(=O)N(C)C)c2=O)C(=O)N(C)C1=O)c1nccs1
InChIInChI=1S/C19H22N6O4S/c1-5-11(16-21-6-7-30-16)22-13-14(19(29)25(4)18(13)28)23-12-9-20-8-10(15(12)26)17(27)24(2)3/h6-9,11,22-23H,5H2,1-4H3,(H,20,26)
InChIKeyGHFCTVNPSFQNHE-UHFFFAOYSA-N
MW430.49 g/mol
LogP0.90
Rot. Bonds7

About N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide

N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 20795798) has the molecular formula C19H22N6O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID20795798
Molecular FormulaC19H22N6O4S
Molecular Weight430.49 g/mol
Exact Mass430.14
IUPAC NameN,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide
SMILESCCC(NC1=C(Nc2c[nH]cc(C(=O)N(C)C)c2=O)C(=O)N(C)C1=O)c1nccs1
InChIInChI=1S/C19H22N6O4S/c1-5-11(16-21-6-7-30-16)22-13-14(19(29)25(4)18(13)28)23-12-9-20-8-10(15(12)26)17(27)24(2)3/h6-9,11,22-23H,5H2,1-4H3,(H,20,26)
InChIKeyGHFCTVNPSFQNHE-UHFFFAOYSA-N
XLogP0.90
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide (CID 20795798) is N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide is CCC(NC1=C(Nc2c[nH]cc(C(=O)N(C)C)c2=O)C(=O)N(C)C1=O)c1nccs1.
What is the InChIKey of N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GHFCTVNPSFQNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4S/c1-5-11(16-21-6-7-30-16)22-13-14(19(29)25(4)18(13)28)23-12-9-20-8-10(15(12)26)17(27)24(2)3/h6-9,11,22-23H,5H2,1-4H3,(H,20,26).
What are the key properties of N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide?
N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 20795798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).