N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide

C18H18N6O3 — CID 153386146

IUPACN-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
SMILESNC(=O)C(O)C(Cc1ccccn1)NC(=O)c1ccnn1-c1ccncc1
InChIInChI=1S/C18H18N6O3/c19-17(26)16(25)14(11-12-3-1-2-7-21-12)23-18(27)15-6-10-22-24(15)13-4-8-20-9-5-13/h1-10,14,16,25H,11H2,(H2,19,26)(H,23,27)
InChIKeyBDJCIOXSPBCPSQ-UHFFFAOYSA-N
MW366.38 g/mol
LogP-0.15
Rot. Bonds7

About N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide

N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 153386146) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID153386146
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC NameN-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
SMILESNC(=O)C(O)C(Cc1ccccn1)NC(=O)c1ccnn1-c1ccncc1
InChIInChI=1S/C18H18N6O3/c19-17(26)16(25)14(11-12-3-1-2-7-21-12)23-18(27)15-6-10-22-24(15)13-4-8-20-9-5-13/h1-10,14,16,25H,11H2,(H2,19,26)(H,23,27)
InChIKeyBDJCIOXSPBCPSQ-UHFFFAOYSA-N
XLogP-0.15
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 153385510
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
CID 153385349
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 134396791
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
CID 142316945
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide
CID 134397359
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 149453599
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-bromo-1-methylpyrazole-4-carboxamide
CID 153484051
N-(4-amino-3,4-dioxo-1-thieno[3,2-b]thiophen-6-ylbutan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide
CID 153385281
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
2-phenylpyrazole-3-carbothioamide
CID 83387115

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide (CID 153386146) is N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide is NC(=O)C(O)C(Cc1ccccn1)NC(=O)c1ccnn1-c1ccncc1.
What is the InChIKey of N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is BDJCIOXSPBCPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c19-17(26)16(25)14(11-12-3-1-2-7-21-12)23-18(27)15-6-10-22-24(15)13-4-8-20-9-5-13/h1-10,14,16,25H,11H2,(H2,19,26)(H,23,27).
What are the key properties of N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide?
N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 366.38 g/mol, XLogP of -0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 153386146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).