5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide

C21H23FN4O3 — CID 142922611

IUPAC5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide
SMILESCCCC[C@H](C)C(=O)Nc1c(C(=O)Nc2ccc(C)cn2)oc2ccc(F)nc12
InChIInChI=1S/C21H23FN4O3/c1-4-5-6-13(3)20(27)26-18-17-14(8-9-15(22)24-17)29-19(18)21(28)25-16-10-7-12(2)11-23-16/h7-11,13H,4-6H2,1-3H3,(H,26,27)(H,23,25,28)/t13-/m0/s1
InChIKeyNWSFRDAKLGRIGY-ZDUSSCGKSA-N
MW398.44 g/mol
LogP4.69
Rot. Bonds7

About 5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide

5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide (PubChem CID 142922611) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide
PubChem CID142922611
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide
SMILESCCCC[C@H](C)C(=O)Nc1c(C(=O)Nc2ccc(C)cn2)oc2ccc(F)nc12
InChIInChI=1S/C21H23FN4O3/c1-4-5-6-13(3)20(27)26-18-17-14(8-9-15(22)24-17)29-19(18)21(28)25-16-10-7-12(2)11-23-16/h7-11,13H,4-6H2,1-3H3,(H,26,27)(H,23,25,28)/t13-/m0/s1
InChIKeyNWSFRDAKLGRIGY-ZDUSSCGKSA-N
XLogP4.69
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide (CID 142922611) is 5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide is CCCC[C@H](C)C(=O)Nc1c(C(=O)Nc2ccc(C)cn2)oc2ccc(F)nc12.
What is the InChIKey of 5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is NWSFRDAKLGRIGY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-4-5-6-13(3)20(27)26-18-17-14(8-9-15(22)24-17)29-19(18)21(28)25-16-10-7-12(2)11-23-16/h7-11,13H,4-6H2,1-3H3,(H,26,27)(H,23,25,28)/t13-/m0/s1.
What are the key properties of 5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide?
5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 142922611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).