N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide

C17H16N4O3 — CID 97086539

IUPACN-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESC[C@@H](CC(=O)c1ccco1)NC(=O)c1cccc(-n2cccn2)n1
InChIInChI=1S/C17H16N4O3/c1-12(11-14(22)15-6-3-10-24-15)19-17(23)13-5-2-7-16(20-13)21-9-4-8-18-21/h2-10,12H,11H2,1H3,(H,19,23)/t12-/m0/s1
InChIKeyAQAZFQGBQPPORZ-LBPRGKRZSA-N
MW324.34 g/mol
LogP2.25
Rot. Bonds6

About N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 97086539) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID97086539
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESC[C@@H](CC(=O)c1ccco1)NC(=O)c1cccc(-n2cccn2)n1
InChIInChI=1S/C17H16N4O3/c1-12(11-14(22)15-6-3-10-24-15)19-17(23)13-5-2-7-16(20-13)21-9-4-8-18-21/h2-10,12H,11H2,1H3,(H,19,23)/t12-/m0/s1
InChIKeyAQAZFQGBQPPORZ-LBPRGKRZSA-N
XLogP2.25
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide with MolForge

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-6-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119587084
4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide
CID 86801279
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71919540
3-cyclopropyl-2-[(6-pyrazol-1-ylpyridine-2-carbonyl)amino]propanoic acid
CID 120535926
N-(2-amino-2-methylpropyl)-6-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119628163
3-bromo-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]furan-2-carboxamide
CID 124591402
N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 111539645
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 96570332
N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 99637282
N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 96565965
2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide
CID 122148768
pent-4-yn-2-yl 6-pyrazol-1-ylpyridine-2-carboxylate
CID 71859604

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 97086539) is N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide is C[C@@H](CC(=O)c1ccco1)NC(=O)c1cccc(-n2cccn2)n1.
What is the InChIKey of N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is AQAZFQGBQPPORZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-12(11-14(22)15-6-3-10-24-15)19-17(23)13-5-2-7-16(20-13)21-9-4-8-18-21/h2-10,12H,11H2,1H3,(H,19,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 97086539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).