N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide

C19H18N6O3 — CID 149188122

IUPACN-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC(Cc2ccccn2)C(=O)C(N)=O)c1-c1ccccn1
InChIInChI=1S/C19H18N6O3/c1-11-15(13-7-3-5-9-22-13)16(25-24-11)19(28)23-14(17(26)18(20)27)10-12-6-2-4-8-21-12/h2-9,14H,10H2,1H3,(H2,20,27)(H,23,28)(H,24,25)
InChIKeyXCGRDRLNCRNDIH-UHFFFAOYSA-N
MW378.39 g/mol
LogP0.57
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 149188122) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide
PubChem CID149188122
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC NameN-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC(Cc2ccccn2)C(=O)C(N)=O)c1-c1ccccn1
InChIInChI=1S/C19H18N6O3/c1-11-15(13-7-3-5-9-22-13)16(25-24-11)19(28)23-14(17(26)18(20)27)10-12-6-2-4-8-21-12/h2-9,14H,10H2,1H3,(H2,20,27)(H,23,28)(H,24,25)
InChIKeyXCGRDRLNCRNDIH-UHFFFAOYSA-N
XLogP0.57
TPSA143.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 50.57
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-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide
CID 153484047
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
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide
CID 146713405
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 153385510
N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 153385512
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-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide
CID 153386281
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-(1,3-thiazol-2-yl)butan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 147907616
(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
CID 90150229
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 153385303

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide (CID 149188122) is N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC(Cc2ccccn2)C(=O)C(N)=O)c1-c1ccccn1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is XCGRDRLNCRNDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-11-15(13-7-3-5-9-22-13)16(25-24-11)19(28)23-14(17(26)18(20)27)10-12-6-2-4-8-21-12/h2-9,14H,10H2,1H3,(H2,20,27)(H,23,28)(H,24,25).
What are the key properties of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide?
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 0.57, 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-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 149188122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).